SCHEMBL8811543

SCHEMBL8811543

CC(C)[C@@H](C(=O)O)N(Cc1ccc2cc(-c3ccccc3C(=O)O)ccc2c1)C(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 13/20 0.44
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
AGTR1 P30556 2/20 0.37
F7 P08709 1/20 0.37
ABCB11 O95342 1/20 0.37
GP6 Q9HCN6 1/20 0.37
BRS3 P32247 2/20 0.37
PPARG P37231 2/20 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
SCHEMBL8814192 0.96 LTB4R2 (0.43) LTB4R2PDE7APDE7BAGTR1F7
SCHEMBL8486650 0.91 LTB4R2 (0.46) LTB4R2PDE7APDE7BAGTR1BRS3
SCHEMBL8486536 0.89 LTB4R2 (0.44) LTB4R2PDE7APDE7BBRS3
SCHEMBL8811635 0.87 LTB4R2 (0.51) LTB4R2PDE7APDE7BAGTR1ABCB11
SCHEMBL8486167 0.87 PDE7A (0.38) LTB4R2PDE7APDE7BAGTR1F7
SCHEMBL8812722 0.87 LTB4R2 (0.45) LTB4R2AGTR1ABCB11GP6
SCHEMBL8814779 0.87 LTB4R2 (0.52) LTB4R2PDE7APDE7BAGTR1ABCB11
SCHEMBL8486999 0.84 NPSR1 (0.37) LTB4R2PDE7APDE7BF7BRS3
SCHEMBL8485968 0.83 LTB4R2 (0.57) LTB4R2AGTR1ABCB11GP6
SCHEMBL8811767 0.83 ALDH1A1 (0.53) LTB4R2AGTR1ABCB11GP6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed