SCHEMBL7096057

SCHEMBL7096057

CCCc1nn(C)c2c(=O)n(CCOc3ccc(CC(Oc4ccccc4)C(=O)OCC)cc3)c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.42
PPARG P37231 15/20 0.42
PPARD Q03181 4/20 0.42
PDE5A O76074 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL7093145 0.94 PPARG (0.49) PPARAPPARGPPARD
SCHEMBL7096427 0.93 PPARA (0.48) PPARAPPARGPPARDHPGD
SCHEMBL7098374 0.92 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL7006668 0.91 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL7092535 0.90 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL7093042 0.87 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL7093302 0.86 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL7094357 0.86 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL7092740 0.86 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL7096352 0.86 PPARG (0.51) PPARAPPARGPPARD

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