SCHEMBL9359239

SCHEMBL9359239

CN[C@H]1c2cc(C(C)=O)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 4/20 0.52
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL9359246 1.00 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9359250 1.00 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL10886662 0.89 ABCC9 (0.58) ABCC9
SCHEMBL16027515 0.86 ABCC9 (0.56) ABCC9
SCHEMBL11391588 0.85 ABCB1 (0.53) ABCC9ABCB1
SCHEMBL11391593 0.85 ABCB1 (0.53) ABCC9ABCB1
SCHEMBL11391595 0.85 ABCB1 (0.53) ABCC9ABCB1
Hydrochloric Acid SCHEMBL11400067 0.84 ABCB1 (0.52) ABCC9ABCB1
Hydrochloric Acid SCHEMBL11400068 0.84 ABCB1 (0.52) ABCC9ABCB1
Hydrochloric Acid SCHEMBL11400062 0.84 ABCB1 (0.52) ABCC9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426379-B1 Substituted cyclobutenedione compounds BEECHAM GROUP PLC (GB) 1994-12-21 — — EP disclosed
US-5147866-A Hypotensive, bronchodilator agents BEECHAM GROUP P.L.C. (GB) 1992-09-15 — — US disclosed
EP-0426379-A2 Substituted cyclobutenedione compounds Beecham Group p.l.c. (GB) 1991-05-08 — — EP disclosed
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