SCHEMBL8897008

SCHEMBL8897008

CCCCc1ccc(CCC(O)c2ccc(CCCC(=O)OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.50
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
PLK1 P53350 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8896340 0.89 PTGER2 (0.43) PTGER2PTGER4PTGER3PPARGPPARA
SCHEMBL10650968 0.88 PTGER2 (0.63) PTGER2PTGER4PTGER3PPARGPPARA
SCHEMBL8898411 0.88 CA12 (0.43) PTGER2PPARGPPARAALDH1A1
SCHEMBL10651370 0.88 PTGER2 (0.63) PTGER2PTGER4PTGER3PPARGPPARA
SCHEMBL9453938 0.88 PTGER2 (0.63) PTGER2PTGER4PTGER3PPARGPPARA
SCHEMBL8895651 0.88 HDAC3 (0.43) PTGER2PPARGPPARA
SCHEMBL26239913 0.85 ALDH1A1 (0.55) PLK1ALDH1A1HPGDHSD17B10
SCHEMBL9233223 0.84 FAAH (0.49) PTGER2ALDH1A1
SCHEMBL8421753 0.83 PTGER2 (0.47) PTGER2PTGER4PTGER3PPARGPPARA
SCHEMBL9235461 0.83 FAAH (0.51) PTGER2PPARGALDH1A1

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed