SCHEMBL9196516

SCHEMBL9196516

CCc1nc2c(C)c(C(=O)OC)sc2n1Cc1ccc(OCc2cccc(C(=O)O)c2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
FABP4 P15090 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL9199463 0.91 PLA2G2A (0.36) AGTR1AGTR2PLA2G2A
SCHEMBL9203204 0.89 PLA2G2A (0.35) AGTR1AGTR2PLA2G2A
SCHEMBL9196521 0.83 HDAC8 (0.39) MRGPRX4AGTR1AGTR2
SCHEMBL9200319 0.82 TP53 (0.37) AGTR1AGTR2FABP4
SCHEMBL9199466 0.82 NR4A2 (0.41)
SCHEMBL9207021 0.79 MAPT (0.32) AGTR1AGTR2
SCHEMBL9197935 0.77 CPB1 (0.31) AGTR1AGTR2
SCHEMBL9203002 0.74 PPARG (0.47) AGTR1AGTR2
SCHEMBL9197943 0.73 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9287158 0.72 TLR7 (0.39) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed