SCHEMBL7093575

SCHEMBL7093575

CCCc1nn(C)c2c(=O)n(CCOc3ccc(CC(OCC)C(=O)O)cc3)c(Cc3ccccc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.53
PPARA Q07869 16/20 0.53
PPARD Q03181 4/20 0.53
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7096182 0.94 PPARA (0.46) PPARGPPARAPPARDPGRADORA3
SCHEMBL7092188 0.93 PPARG (0.52) PPARGPPARAPPARDPGRADORA3
SCHEMBL7095559 0.92 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL7091645 0.92 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
SCHEMBL7093829 0.91 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
SCHEMBL7092861 0.91 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
SCHEMBL7093311 0.91 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
SCHEMBL7093422 0.91 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
SCHEMBL7096826 0.91 PPARG (0.51) PPARGPPARAPPARDPGRADORA3
N-Benzylmethylamine SCHEMBL7092884 0.91 PPARG (0.49) PPARGPPARAPPARDPGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363914-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP claimed
US-6444816-B1 DIETETICS, ANTICHOLESTEROL AGENTS, ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-09-03 US claimed
WO-2002062799-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO claimed
EP-1363914-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Laboratories Ltd. (IN) 2003-11-26 EP disclosed
US-6444816-B1 DIETETICS, ANTICHOLESTEROL AGENTS, ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-09-03 US disclosed
WO-2002062799-A1 ARYL SUBSTITUTED ALKYLCARBOXYLIC ACIDS AS HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2002-08-15 WO disclosed