SCHEMBL9690754

SCHEMBL9690754

COC(=O)c1ccccc1-c1ccc(Cn2c(=O)c3c(c4ccc(OC)cc42)OC(=O)CC3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.45
P2RX7 Q99572 3/20 0.42
EDNRB P24530 1/20 0.41
PPARG P37231 6/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLA2G2A P14555 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL9536684 0.81 MAPK8 (0.55) MAPK8PPARGHDAC1HDAC8HDAC6
SCHEMBL9535760 0.76 AGTR1 (0.47) MAPK8PPARGPLA2G2A
SCHEMBL9531841 0.74 PPARG (0.52) MAPK8PPARGPLA2G2A
SCHEMBL9531904 0.71 PPARG (0.50) EDNRBPPARGPLA2G2A
SCHEMBL9534507 0.70 PPARG (0.53) PPARGPLA2G2A
SCHEMBL9531316 0.68 AGTR1 (0.54) PPARG
SCHEMBL29264863 0.68 SLC6A4 (0.45) MAPK8PPARG
SCHEMBL6276231 0.67 SLC6A3 (0.71) HDAC8
SCHEMBL7098029 0.66 PPARG (0.64) PPARG
SCHEMBL9531279 0.66 AGTR1 (0.55) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed