SCHEMBL9022452

SCHEMBL9022452

[CH2]CCCCOCCCCCCCc1ccc(OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CALM1 P0DP23 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
ALOX5 P09917 1/20 0.43
MAOB P27338 2/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9021394 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021053 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021994 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021329 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021213 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021184 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9022094 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021189 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021093 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL9021132 1.00 TDP1 (0.63) TDP1L3MBTL1CALM1IGF1RALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 WO disclosed