SCHEMBL8325293

SCHEMBL8325293

COc1cc(/C=C\c2ccccc2OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.55
PTGER3 P43115 2/20 0.55
PTGER2 P43116 2/20 0.55
PTGER1 P34995 1/20 0.55
APP P05067 6/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1B1 Q16678 1/20 0.51
NPC1 O15118 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL8321345 1.00 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8321350 1.00 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322642 0.91 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322645 0.91 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8327004 0.91 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8323838 0.86 PTGER1 (0.57) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8323833 0.86 PTGER1 (0.57) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8322341 0.82 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8319700 0.82 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1APP
SCHEMBL8319694 0.82 PTGER4 (0.53) 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 2 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed