SCHEMBL8618675

SCHEMBL8618675

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C=CCCOc1ccc(OCCCC(C)(C)C(=O)O)cc1)O2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TTPA P49638 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL8049826 0.88 PSEN1 (0.41) PPARA
SCHEMBL8616733 0.82 ALOX5 (0.51) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8924155 0.78 PPARA (0.42) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8924165 0.78 PPARA (0.42) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8767383 0.76 PTGS1 (0.43) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8767394 0.76 PTGS1 (0.43) PPARAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8617484 0.75 ALOX5 (0.47) TTPAMEN1MAPTKMT2ATDP1
SCHEMBL13086566 0.71 PTGS1 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13086272 0.68 MAPT (0.42) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9851129 0.67 MAPT (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-5734077-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, TREATMENT OF DIABETES AND ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 1998-03-31 US disclosed