SCHEMBL8954079

SCHEMBL8954079

CCCSc1ncc(CC(C(=O)O)(C(=O)O)c2ccccc2)n1Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL8954167 0.85 TP53 (0.46) TP53POLB
SCHEMBL9696380 0.84 TP53 (0.43) TP53
SCHEMBL7054174 0.83 TP53 (0.48) TP53
SCHEMBL8954072 0.82 TP53 (0.41) TP53ALDH1A1HSD17B10GAAPOLB
SCHEMBL8954177 0.82 TP53 (0.42) TP53
SCHEMBL8954114 0.82 TP53 (0.47) TP53ALDH1A1HSD17B10
SCHEMBL8954062 0.82 TP53 (0.47) TP53
SCHEMBL8954122 0.81 TP53 (0.48) TP53ALDH1A1HSD17B10GAAMEN1
SCHEMBL7060199 0.81 TP53 (0.57) TP53ALDH1A1HSD17B10GAAMEN1
SCHEMBL8954170 0.80 TP53 (0.46) TP53

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-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 — — US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 — — US disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS — 1993-11-10 — — EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 — — EP disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 — — WO disclosed
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