SCHEMBL9540780

SCHEMBL9540780

CCCCc1ncnc(Cc2ccc(C(=O)O)cc2)c1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
FOLH1 Q04609 2/20 0.45
BRS3 P32247 2/20 0.44
RARB P10826 1/20 0.43

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
SCHEMBL8979770 0.90 AGTR1 (0.56) AGTR1AGTR2BRS3
SCHEMBL9196825 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8979766 0.81 AGTR1 (0.51) AGTR1AGTR2BRS3
SCHEMBL9202144 0.80 AGTR1 (0.46) AGTR1AGTR2FOLH1BRS3
SCHEMBL9199769 0.77 CNR1 (0.39) AGTR1AGTR2
SCHEMBL8504803 0.77 DHODH (0.51) AGTR1AGTR2FOLH1BRS3
SCHEMBL9202367 0.77 AGTR1 (0.44) AGTR1AGTR2FOLH1BRS3
SCHEMBL3737185 0.76 FOLH1 (0.63) PTPN11AGTR1AGTR2FOLH1BRS3
SCHEMBL8979762 0.76 AGTR1 (0.47) AGTR1AGTR2BRS3
SCHEMBL1226948 0.74 AGTR1 (0.54) AGTR1AGTR2BRS3

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
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed