SCHEMBL3886809

SCHEMBL3886809

CC(Cc1ccc(OCCc2ccc(Cl)cc2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
P2RX3 P56373 2/20 0.38
ENPP2 Q13822 1/20 0.38
MAP3K11 Q16584 1/20 0.37
RHEB Q15382 1/20 0.37
PPARG P37231 2/20 0.37
SLC6A9 P48067 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
NR4A2 P43354 2/20 0.36
CDK1 P06493 1/20 0.36
KDR P35968 1/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
MCL1 Q07820 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL3894657 0.92 PPARA (0.46) PTGS2PPARAPPARDP2RX3ENPP2
SCHEMBL3882075 0.92 PTGS2 (0.43) PTGS2PPARAPPARDENPP2MAP3K11
SCHEMBL3884148 0.91 ENPP2 (0.39) PTGS2PPARAPPARDENPP2PPARG
SCHEMBL3891560 0.91 PTGER1 (0.44) PTGS2PPARAP2RX3ENPP2MAP3K11
SCHEMBL3883391 0.90 PTGS2 (0.41) PTGS2PPARAPPARDENPP2MAP3K11
SCHEMBL3884675 0.88 PTGER1 (0.41) PTGS2PPARAPPARDENPP2MAP3K11
SCHEMBL3894495 0.87 PTGS2 (0.41) PTGS2PPARAPPARDENPP2PPARG
SCHEMBL3882300 0.87 PTGS2 (0.45) PTGS2PPARAPPARDENPP2MAP3K11
SCHEMBL3893365 0.86 PTGS2 (0.40) PTGS2PPARAENPP2PPARGPTGES
SCHEMBL3889372 0.86 PPARD (0.44) PTGS2PPARAPPARDENPP2MAP3K11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed