SCHEMBL4460423

SCHEMBL4460423

CCCCCCc1cc2c(cc1OC(CC)CCC(=O)O)C(=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.37
LTB4R2 Q9NPC1 11/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYSLTR2 Q9NS75 4/20 0.37
CYSLTR1 Q9Y271 4/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TSHR P16473 1/20 0.35
SCD O00767 1/20 0.34
PPARA Q07869 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
SCHEMBL4450029 0.89 CYSLTR2 (0.36) LTB4RLTB4R2CYSLTR2CYSLTR1S1PR2
SCHEMBL4450311 0.84 CYSLTR2 (0.36) LTB4RLTB4R2CYSLTR2CYSLTR1S1PR2
SCHEMBL4453277 0.82 LTB4R (0.47) LTB4RLTB4R2TSHR
SCHEMBL13956434 0.82 LTB4R (0.47) LTB4RLTB4R2TSHR
SCHEMBL4447372 0.81 BRD4 (0.34) PPARA
SCHEMBL4460104 0.81 BRD4 (0.34) PPARA
SCHEMBL13956465 0.79 TSHR (0.56) LTB4RLTB4R2ALDH1A1TSHRPPARA
SCHEMBL13956629 0.79 PPARA (0.46) LTB4RLTB4R2CYSLTR2CYSLTR1PPARA
SCHEMBL4460417 0.78 PPARG (0.39) LTB4RLTB4R2TSHRPPARA
SCHEMBL4450816 0.78 ALDH1A1 (0.37) ALDH1A1LMNAPOLBRECQLHIF1A

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