SCHEMBL8409377

SCHEMBL8409377

CC(=O)NCCSc1ccc(OC(C)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.75
MTNR1B P49286 6/20 0.75
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
NPC1 O15118 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TEAD1 P28347 1/20 0.45
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
TEAD2 Q15562 1/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
USP2 O75604 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8409512 0.87 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL3400130 0.86 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL8412413 0.80 MTNR1A (0.72) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL12503624 0.80 PTGS2 (0.53) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL9212481 0.79 MTNR1A (0.70) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL8412916 0.79 LMNA (0.48) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL660740 0.79 TEAD1 (0.71) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL10316528 0.78 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1SMN1; SMN2NPC1
SCHEMBL7721670 0.78 LMNA (0.55) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR
SCHEMBL9221638 0.78 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1SMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925332-A RADIOACTIVE LABELS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1999-07-20 US claimed
EP-0650473-B1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS UNIV ALBERTA (CA) 1997-05-28 EP claimed
EP-0650473-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS. UNIV ALBERTA (CA) 1995-05-03 EP claimed
WO-1994002456-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1994-02-03 WO claimed
US-11813295-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity Theobald Therapeutics LLC (US) 2023-11-14 US disclosed
US-10828356-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity BERMUDES DAVID GORDON (US) 2020-11-10 US disclosed
US-10729731-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity BERMUDES DAVID GORDON (US) 2020-08-04 US disclosed
US-10449237-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity BERMUDES DAVID GORDON (US) 2019-10-22 US disclosed
US-10286051-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity BERMUDES DAVID GORDON (US) 2019-05-14 US disclosed
US-9616114-B1 Modified bacteria having improved pharmacokinetics and tumor colonization enhancing antitumor activity BERMUDES DAVID GORDON (US) 2017-04-11 US disclosed
US-5925332-A RADIOACTIVE LABELS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1999-07-20 US disclosed
US-5756068-A Methods of radioimaging and radiochemotherapy using phenolic thioeter amines and acyl derivatives thereof THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1998-05-26 US disclosed
EP-0650473-B1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS UNIV ALBERTA (CA) 1997-05-28 EP disclosed
EP-0650473-B1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS UNIV ALBERTA (CA) 1997-05-28 EP disclosed
EP-0650473-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS. UNIV ALBERTA (CA) 1995-05-03 EP disclosed
EP-0650473-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS. UNIV ALBERTA (CA) 1995-05-03 EP disclosed
WO-1994002456-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1994-02-03 WO disclosed
WO-1994002456-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1994-02-03 WO disclosed