SCHEMBL8322642

SCHEMBL8322642

COC(=O)c1ccc(/C=C/c2ccccc2OCc2ccccc2)cc1OC

nearest known ligand 0.56

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 5/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL8322645 1.00 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8327004 1.00 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8321345 0.91 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8325293 0.91 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8321350 0.91 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322341 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8319694 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8319700 0.89 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL7774977 0.82 KMT2A (0.62) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL7774973 0.82 KMT2A (0.62) PTGER4PTGER3PTGER2PTGER1ALDH1A1

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