SCHEMBL8809185

SCHEMBL8809185

CCOC(=O)N(Cc1ccc2nc(-c3ccccc3C(=O)O)ccc2c1)[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTB4R2 Q9NPC1 13/20 0.43
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
AGTR1 P30556 1/20 0.37
LPAR1 Q92633 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
SCHEMBL8809019 0.93 LTB4R2 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8486326 0.91 ALDH1A1 (0.49) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8807794 0.91 LTB4R2 (0.47) LTB4R2PDE7APDE7BAGTR1
SCHEMBL8807879 0.89 LTB4R2 (0.39) LTB4R2PDE7APDE7BAGTR1LPAR1
SCHEMBL8807800 0.88 LTB4R2 (0.50) LTB4R2PDE7APDE7BAGTR1
SCHEMBL8488217 0.87 LTB4R2 (0.50) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8807632 0.85 LTB4R2 (0.55) LTB4R2AGTR1
SCHEMBL8807157 0.84 LTB4R2 (0.39) LTB4R2PDE7APDE7BLPAR1
SCHEMBL8487982 0.84 LTB4R2 (0.44) LTB4R2PDE7APDE7BAGTR1
SCHEMBL8482879 0.84 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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