SCHEMBL8767394

SCHEMBL8767394

Cc1c(C)c2c(c(C)c1O)CCC(C)(C=CCc1ccc(OC(C)(C)C(=O)O)cc1)O2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 2/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
BCHE P06276 7/20 0.38
ACHE P22303 7/20 0.38
PPARD Q03181 1/20 0.37

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
SCHEMBL8767377 1.00 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8767383 1.00 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8924155 0.89 PPARA (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8924165 0.89 PPARA (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8923656 0.86 PSEN1 (0.38) MEN1MAPTKMT2ATDP1PPARA
SCHEMBL8923653 0.86 PSEN1 (0.38) MEN1MAPTKMT2ATDP1PPARA
SCHEMBL8923654 0.86 PSEN1 (0.38) MEN1MAPTKMT2ATDP1PPARA
SCHEMBL8767480 0.79 ALOX5 (0.51) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8767474 0.79 ALOX5 (0.51) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8768719 0.78 ALOX5 (0.49) PTGS1PTGS2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP claimed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US claimed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed