SCHEMBL4450305

SCHEMBL4450305

CCCCCCc1cc2c(cc1OCCC(CC)C(=O)O)C(=O)C(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 5/20 0.38
TSHR P16473 1/20 0.36
PTGES O14684 2/20 0.35
ALOX5 P09917 2/20 0.35
CNR2 P34972 8/20 0.35
CNR1 P21554 6/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4453306 0.86 TSHR (0.41) TSHRCNR2CNR1
SCHEMBL4460417 0.84 PPARG (0.39) PPARGPPARAPPARDTSHRPTGES
SCHEMBL4450308 0.81 CNR2 (0.41) PPARGPPARACNR2CNR1
SCHEMBL4450025 0.81 TSHR (0.36) PPARGPPARAPPARDTSHRPTGES
SCHEMBL2303286 0.79 HTR2A (0.45) PPARAALOX5CNR2
SCHEMBL2302044 0.74 MAPT (0.43) PPARGPPARATSHRALOX5
SCHEMBL13956434 0.68 LTB4R (0.47) TSHRCNR2CNR1
SCHEMBL4453277 0.68 LTB4R (0.47) TSHRCNR2CNR1
SCHEMBL4450879 0.66 LTB4R (0.52) TSHRCNR2CNR1
SCHEMBL13956465 0.65 TSHR (0.56) PPARGPPARAPPARDTSHR

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-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed