SCHEMBL6531482

SCHEMBL6531482

CCOC(=O)C(Cc1ccc(C#CCN2CCOc3ccccc32)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
PPARA Q07869 9/20 0.45
TSHR P16473 4/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.38
PPARD Q03181 3/20 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
SCHEMBL6532464 0.92 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL6528529 0.84 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6529670 0.83 PPARG (0.48) PPARGPPARATSHRKMT2A
SCHEMBL14265752 0.83 PPARG (0.58) PPARGPPARAMAPTLMNARXFP1
SCHEMBL5107137 0.83 PPARG (0.58) PPARGPPARAMAPTLMNARXFP1
SCHEMBL1858011 0.80 PPARG (0.45) PPARGPPARATSHRKMT2AMAPT
SCHEMBL6528743 0.79 PPARG (0.44) PPARGPPARA
SCHEMBL1858905 0.79 PPARG (0.45) PPARGPPARATSHRKMT2AMAPT
SCHEMBL5100409 0.77 PPARG (0.54) PPARGPPARAMAPTLMNARXFP1
SCHEMBL14286115 0.77 PPARG (0.49) PPARGPPARAMAPTLMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed
WO-2005051380-A1 SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed