SCHEMBL9264530

SCHEMBL9264530

CCCC(=O)C(=CNc1ccccc1COC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
DHODH Q02127 3/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
STAT1 P42224 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL9264524 1.00 GAA (0.52) GAADHODHCYP3A4CYP2D6CASP3
SCHEMBL9268678 0.91 GAA (0.47) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL9268672 0.91 GAA (0.47) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL10532873 0.90 PPARG (0.42) GAADHODHCYP3A4CYP2D6CASP3
SCHEMBL9272765 0.86 GAA (0.53) GAADHODHCYP3A4CYP2D6CASP3
SCHEMBL9272760 0.86 GAA (0.53) GAADHODHCYP3A4CYP2D6CASP3
SCHEMBL9268176 0.84 DHODH (0.59) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL9268172 0.84 DHODH (0.59) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL9269570 0.83 DHODH (0.51) GAADHODHLMNAMEN1KMT2A
SCHEMBL9269585 0.83 DHODH (0.51) GAADHODHLMNAMEN1KMT2A

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