SCHEMBL9044997

SCHEMBL9044997

CCCCc1nc(C)c(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.45
AGTR2 P50052 6/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9042610 0.93 AGTR1 (0.44) AGTR1AGTR2RXRARXRBRXRG
SCHEMBL9040896 0.91 RXRA (0.43) AGTR1AGTR2RXRARXRBRXRG
SCHEMBL9041522 0.91 AGTR1 (0.49) AGTR1AGTR2RXRARXRBNPC1
SCHEMBL9044992 0.90 PPARG (0.44)
SCHEMBL9044012 0.88 AGTR1 (0.50) AGTR1AGTR2NPC1HPGDRAB9A
SCHEMBL9042685 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9044896 0.86 AGTR1 (0.50) AGTR1AGTR2RXRARXRBRXRG
SCHEMBL9043512 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9042348 0.84 AGTR1 (0.48) AGTR1AGTR2RXRARXRBRXRG
SCHEMBL9592173 0.84 EDNRB (0.43)

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-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed