SCHEMBL9118964

SCHEMBL9118964

CCCCc1nnc2ccccc2c1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
AGTR2 P50052 3/20 0.47
RARB P10826 6/20 0.47
TLR7 Q9NYK1 1/20 0.46
TLR8 Q9NR97 2/20 0.44
DHODH Q02127 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL9122860 0.99 AGTR1 (0.47) AGTR1AGTR2RARBTLR7TLR8
SCHEMBL9654571 0.85 AGTR1 (0.56) AGTR1AGTR2DHODH
SCHEMBL8504803 0.82 DHODH (0.51) AGTR1AGTR2DHODH
SCHEMBL8504676 0.81 NR1H4 (0.49) AGTR1AGTR2RARBTLR7DHODH
SCHEMBL9120742 0.80 RARB (0.46) AGTR1AGTR2RARBTLR7
SCHEMBL9118013 0.80 AGTR1 (0.47) AGTR1AGTR2RARBTLR7TLR8
SCHEMBL8780493 0.80 TLR8 (0.42) TLR7TLR8ALDH1A1KMT2A
SCHEMBL8584304 0.78 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9119822 0.77 RARB (0.43) AGTR1AGTR2RARBTLR7
SCHEMBL9119796 0.75 DHODH (0.53) AGTR1AGTR2RARBTLR7DHODH

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
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US claimed