SCHEMBL8319694

SCHEMBL8319694

COC(=O)c1ccc(/C=C/c2ccccc2OCc2ccccc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.53
PTGER3 P43115 2/20 0.53
PTGER2 P43116 2/20 0.53
PTGER1 P34995 1/20 0.53
APP P05067 3/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL8322341 1.00 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8319700 1.00 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322642 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8327004 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322645 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8324551 0.89 LMNA (0.54) APPHPGDLMNAMEN1POLB
SCHEMBL8321448 0.89 APP (0.58) APPHPGDLMNAPOLBMAOB
SCHEMBL8321452 0.89 APP (0.58) APPHPGDLMNAPOLBMAOB
SCHEMBL8324548 0.89 LMNA (0.54) APPHPGDLMNAMEN1POLB
SCHEMBL8323838 0.89 PTGER1 (0.57) PTGER4PTGER3PTGER2PTGER1APP

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-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