SCHEMBL10851952

SCHEMBL10851952

CC(=O)c1ccc2c(c1)[C@H](NC=O)[C@@H](C(=O)O)C(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 2/20 0.39
▸ KCNA5 P22460 3/20 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
SCHEMBL10851967 1.00 ABCC9 (0.39) ABCC9KCNA5
SCHEMBL10851959 0.84 ABCC9 (0.38) ABCC9KCNA5
SCHEMBL10848193 0.82 AKR1B1 (0.38) ABCC9KCNA5
SCHEMBL10848203 0.82 AKR1B1 (0.38) ABCC9KCNA5
SCHEMBL10847989 0.81 ABCB1 (0.56) ABCC9
SCHEMBL10847997 0.81 ABCB1 (0.56) ABCC9
SCHEMBL10848280 0.78 KDM4E (0.38) —
SCHEMBL10848293 0.78 KDM4E (0.38) —
SCHEMBL16027515 0.75 ABCC9 (0.56) ABCC9
SCHEMBL9359246 0.75 ABCC9 (0.52) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4629734-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1986-12-16 — — US claimed
EP-0126350-A1 Novel compounds BEECHAM GROUP PLC (GB) 1984-11-28 — — EP claimed
US-4629734-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1986-12-16 — — US disclosed
EP-0126350-A1 Novel compounds BEECHAM GROUP PLC (GB) 1984-11-28 — — EP disclosed
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