SCHEMBL4450311

SCHEMBL4450311

CCCCCCc1cc2c(cc1OC(CC)CCC(=O)O)C(=O)C(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.36
CYSLTR1 Q9Y271 7/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
TSHR P16473 1/20 0.34
SCD O00767 1/20 0.33
RXRA P19793 1/20 0.33
PPARA Q07869 3/20 0.33
F13A1 P00488 3/20 0.32
LTB4R Q15722 3/20 0.32
PPARG P37231 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL4460423 0.84 LTB4R (0.37) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL4453306 0.84 TSHR (0.41) CYSLTR2CYSLTR1TSHRSCDRXRA
SCHEMBL4450029 0.81 CYSLTR2 (0.36) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL2303286 0.79 HTR2A (0.45) PPARA
SCHEMBL4450305 0.78 PPARG (0.38) TSHRPPARAPPARG
SCHEMBL2302044 0.76 MAPT (0.43) TSHRPPARAPPARG
SCHEMBL25168635 0.66 CYSLTR2 (0.54) CYSLTR2CYSLTR1S1PR2S1PR1S1PR3
SCHEMBL13956434 0.65 LTB4R (0.47) TSHRLTB4RLTB4R2
SCHEMBL4453277 0.65 LTB4R (0.47) TSHRLTB4RLTB4R2
SCHEMBL4460104 0.64 BRD4 (0.34) PPARAPPARG

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