SCHEMBL8954072

SCHEMBL8954072

CCCSc1ncc(C(Cc2ccccc2)(C(=O)O)C(=O)O)n1Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL8954121 0.88 TP53 (0.41) TP53ALDH1A1HSD17B10
SCHEMBL8954344 0.87 — —
SCHEMBL8954167 0.83 TP53 (0.46) TP53POLB
SCHEMBL9529761 0.83 ALDH1A1 (0.44) TP53POLBALDH1A1GAAHSD17B10
SCHEMBL8954079 0.82 TP53 (0.44) TP53POLBALDH1A1GAAHSD17B10
SCHEMBL7055318 0.81 — —
SCHEMBL8954244 0.81 ALOX5AP (0.38) TP53ALDH1A1HSD17B10
SCHEMBL9483748 0.80 TP53 (0.39) TP53POLB
SCHEMBL9483752 0.80 TP53 (0.39) TP53POLB
SCHEMBL8954172 0.79 — —

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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