SCHEMBL9268644

SCHEMBL9268644

CC=C(C(=O)CC)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL7102042 0.84 MAPT (0.34) ALDH1A1MAPTNPSR1TET2EGLN1
SCHEMBL7102045 0.84 MAPT (0.34) ALDH1A1MAPTNPSR1TET2EGLN1
SCHEMBL7171266 0.82 MAPT (0.32) ALDH1A1MAPTNPSR1TET2EGLN1
SCHEMBL7173968 0.82 MAPT (0.32) ALDH1A1MAPTNPSR1TET2EGLN1
SCHEMBL7172761 0.82 MAPT (0.32) ALDH1A1MAPTNPSR1TET2EGLN1
SCHEMBL6887908 0.79 NPSR1 (0.54) ALDH1A1MAPTNPSR1
SCHEMBL17565792 0.79 FFAR3 (0.39) ALDH1A1
SCHEMBL2474496 0.79 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1
SCHEMBL4010131 0.79 SMN1; SMN2 (0.30) MAPTNPSR1
SCHEMBL11655353 0.79 ALDH1A1 (0.32) ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432182-A Inhibitors of gastric acid secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-07-11 US disclosed
EP-0330485-B1 4-AMINO-3-ACYL QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION SmithKline Beecham Intercredit B.V. (NL) 1993-05-26 EP disclosed
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 US disclosed
WO-1989008104-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed
EP-0330485-A1 4-Amino-3-acyl quinoline derivatives and their use as inhibitors of gastric acid secretion SmithKline Beecham Intercredit B.V. (NL) 1989-08-30 EP disclosed