SCHEMBL8322796

SCHEMBL8322796

CSc1ccc(OCc2ccccc2)c(CCc2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.47
FOLH1 Q04609 1/20 0.46
PTGER1 P34995 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAOB P27338 1/20 0.44
MCL1 Q07820 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARA Q07869 1/20 0.42
ABCB1 P08183 2/20 0.41
HTR1A P08908 2/20 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
SCHEMBL8326478 0.86 PTGER1 (0.57) FOLH1PTGER1FFAR4MAOBMCL1
SCHEMBL8409245 0.84 PTGER1 (0.58) GCKFOLH1PTGER1MAPTSMN1; SMN2
SCHEMBL8318934 0.84 HTR1A (0.60) FOLH1PTGER1MAOBMCL1PTGER4
SCHEMBL8319605 0.84 MTNR1A (0.58) MAOBABCB1HTR1ADRD2
SCHEMBL8321056 0.84 FOLH1 (0.51) FOLH1PTGER1RAB9AALDH1A1
SCHEMBL8676381 0.81 PTGER1 (0.55) GCKFOLH1PTGER1MAPTSMN1; SMN2
SCHEMBL8405916 0.80 SMN1; SMN2 (0.53) GCKPTGER1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8409730 0.79 HTR1A (0.60) FOLH1PTGER1MCL1PTGER4PTGER3
SCHEMBL8320693 0.78 PTGER1 (0.69) GCKPTGER1MAPTPTGER4PTGER3
SCHEMBL8319789 0.78 PTGER1 (0.67) FOLH1PTGER1MAOBMCL1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed