SCHEMBL8954244

SCHEMBL8954244

CCCSc1ncc(C(C)(C(=O)O)C(=O)Oc2ccccc2)n1Cc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC16A3 O15427 3/20 0.37
▸ SLC16A1 P53985 3/20 0.37
▸ MCTS1 Q9ULC4 3/20 0.37
▸ TP53 P04637 1/20 0.37

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 0.91 TP53 (0.41) ALDH1A1HSD17B10TP53
SCHEMBL8954072 0.81 TP53 (0.41) ALDH1A1HSD17B10TP53
SCHEMBL9529761 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10TP53
SCHEMBL8954344 0.79 — —
SCHEMBL8954172 0.76 — —
SCHEMBL9473192 0.76 CCR2 (0.45) ALDH1A1HSD17B10TP53
SCHEMBL8954242 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10TP53
SCHEMBL7054174 0.74 TP53 (0.48) TP53
SCHEMBL8954183 0.74 TP53 (0.42) ALDH1A1HSD17B10TP53
SCHEMBL8954128 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10TP53

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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