SCHEMBL6931468

SCHEMBL6931468

CCCc1c(OCCCSc2ccc(CC#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.61
CYSLTR1 Q9Y271 14/20 0.61
PPARG P37231 4/20 0.59
PPARD Q03181 4/20 0.59
PPARA Q07869 4/20 0.59
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
GRM2 Q14416 1/20 0.53
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL6933780 0.97 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10675071 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6934443 0.87 GRM2 (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6938792 0.87 PPARG (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6939625 0.86 PPARG (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6137114 0.86 PPARG (0.75) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734215 0.85 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10732133 0.84 CYSLTR1 (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10893732 0.84 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6934143 0.84 PPARG (0.74) CYSLTR2CYSLTR1PPARGPPARDPPARA

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed