SCHEMBL9358694

SCHEMBL9358694

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.46
▸ ABCC9 O60706 3/20 0.42

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
SCHEMBL9358706 1.00 ABCB1 (0.46) ABCB1ABCC9
SCHEMBL9358699 1.00 ABCB1 (0.46) ABCB1ABCC9
SCHEMBL9581474 0.79 ABCB1 (0.37) ABCB1ABCC9
SCHEMBL9581465 0.79 ABCB1 (0.37) ABCB1ABCC9
SCHEMBL9581471 0.79 ABCB1 (0.37) ABCB1ABCC9
SCHEMBL7478016 0.77 ABCC9 (0.59) ABCC9
SCHEMBL7478011 0.77 ABCC9 (0.59) ABCC9
SCHEMBL7478001 0.77 ABCC9 (0.59) ABCC9
SCHEMBL9363912 0.77 KCNA5 (0.49) ABCB1ABCC9
SCHEMBL9581711 0.77 IDO1 (0.40) ABCB1

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 2 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
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