SCHEMBL8924155

SCHEMBL8924155

Cc1c(C)c2c(c(C)c1O)CCC(C)(/C=C\CCCCc1ccc(OC(C)(C)C(=O)O)cc1)O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 6/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALOX5 P09917 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 5/20 0.37
ACHE P22303 5/20 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
SCHEMBL8924165 1.00 PPARA (0.42) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8767383 0.89 PTGS1 (0.43) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8767377 0.89 PTGS1 (0.43) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8767394 0.89 PTGS1 (0.43) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8768719 0.83 ALOX5 (0.49) PPARAPPARGPTGS1PTGS2ALOX5
SCHEMBL8768724 0.83 ALOX5 (0.49) PPARAPPARGPTGS1PTGS2ALOX5
SCHEMBL8767474 0.83 ALOX5 (0.51) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8767480 0.83 ALOX5 (0.51) PPARAPPARGPTGS1PTGS2CYP1A2
SCHEMBL8618675 0.78 PPARA (0.42) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8923653 0.75 PSEN1 (0.38) PPARAPPARGMEN1MAPTKMT2A

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
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed