SCHEMBL9536684

SCHEMBL9536684

COC(=O)c1ccccc1-c1ccc(Cn2c(=O)c(-c3ccccc3)c(O)c3ccc(OC)cc32)cc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.55
EGLN1 Q9GZT9 2/20 0.47
PPARG P37231 3/20 0.46
PLA2G2A P14555 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL9531841 0.93 PPARG (0.52) MAPK8PPARGPLA2G2A
SCHEMBL9535760 0.85 AGTR1 (0.47) MAPK8PPARGPLA2G2A
SCHEMBL9690284 0.84 MAPK8 (0.46) MAPK8EGLN1PPARGPLA2G2AHDAC1
SCHEMBL9531469 0.84 PPARG (0.49) PPARG
SCHEMBL9530978 0.82 PPARG (0.51) PPARG
SCHEMBL9531904 0.82 PPARG (0.50) PPARGPLA2G2A
SCHEMBL9690754 0.81 MAPK8 (0.45) MAPK8PPARGPLA2G2AHDAC1HDAC8
SCHEMBL9531601 0.80 MAPK8 (0.43) MAPK8EGLN1PLA2G2AHDAC1HDAC8
SCHEMBL9531316 0.79 AGTR1 (0.54) PPARG
SCHEMBL9534507 0.77 PPARG (0.53) PPARGPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed