SCHEMBL7820191

SCHEMBL7820191

CCc1nc(C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
AGTR1 P30556 3/20 0.50

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
SCHEMBL7819140 0.93 AGTR1 (0.58) PPARGAGTR1
SCHEMBL7819440 0.92 PPARG (0.61) PPARGAGTR1
SCHEMBL7825674 0.91 PPARG (0.48) PPARGAGTR1
SCHEMBL7812732 0.91 PPARG (0.57) PPARGAGTR1
SCHEMBL7812694 0.90 AGTR1 (0.52) PPARGAGTR1
SCHEMBL8810730 0.89 PPARG (0.44) PPARGAGTR1
SCHEMBL7820768 0.86 PPARG (0.50) PPARG
SCHEMBL7823046 0.85 AGTR1 (0.54) PPARGAGTR1
SCHEMBL9237251 0.85 PPARG (0.45) PPARGAGTR1
SCHEMBL7819251 0.85 AGTR1 (0.49) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781276-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1997-07-02 EP claimed
WO-1996008476-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1996-03-21 WO claimed
EP-0781276-B1 PYRIMIDINONE DERIVATIVES BORYUNG PHARM (KR) 2001-12-12 EP disclosed
EP-0781276-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1997-07-02 EP disclosed
WO-1996008476-A1 PYRIMIDINONE DERIVATIVES BORYUNG PHARMACEUTICAL CO., LTD. (KR) 1996-03-21 WO disclosed