SCHEMBL6801077

SCHEMBL6801077

CC(C)(C)OC(=O)C(CC(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL28485962 0.86 L3MBTL1 (0.45) POLBTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8011431 0.86 MAPT (0.45) POLBTDP1L3MBTL1ALDH1A1GAA
SCHEMBL27663392 0.86 MAPT (0.45) POLBTDP1L3MBTL1ALDH1A1GAA
SCHEMBL3901742 0.85 L3MBTL1 (0.42) POLBTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28857323 0.84 CYP2C9 (0.44) POLBTDP1L3MBTL1ALDH1A1GAA
SCHEMBL6321166 0.81 ALDH1A1 (0.50) POLBTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3902503 0.77 GAA (0.58) POLBTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2599350 0.77 LMNA (0.45) L3MBTL1ALDH1A1KDM4EHTTADRB2
SCHEMBL10886503 0.77 CYP1A2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1GAAHTT
SCHEMBL2386999 0.77 L3MBTL1 (0.61) POLBTDP1SMN1; SMN2L3MBTL1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed