SCHEMBL6935593

SCHEMBL6935593

CCCc1c(CCCCBr)ccc(C(=O)CC)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.43
CYSLTR1 Q9Y271 5/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
CTSD P07339 1/20 0.41
PPARD Q03181 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HSP90AB1 P08238 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL6936416 0.87 CYSLTR2 (0.44) CYSLTR2CYSLTR1PPARGPPARACTSD
SCHEMBL9734780 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL6938386 0.80 GRM2 (0.58) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL6935920 0.78 PPARG (0.54) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL5587167 0.76 CYP1A2 (0.38) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL4017548 0.76 HSP90AB1 (0.49) CYSLTR2CYSLTR1PPARGPPARACTSD
SCHEMBL8262764 0.74 HSP90AB1 (0.43) CYSLTR2CYSLTR1PPARGPPARACTSD
SCHEMBL8892285 0.73 PPARG (0.45) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL28972724 0.72 TYR (0.41) CYSLTR2CYSLTR1
SCHEMBL27375877 0.72 TYR (0.45) PPARAHSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed