SCHEMBL9398425

SCHEMBL9398425

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)CCOCc2ccccc2)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 10/20 0.62
▸ ABCC9 O60706 9/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX15 P16050 1/20 0.57

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
SCHEMBL9269632 0.86 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9269643 0.86 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9269639 0.86 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9397675 0.83 ABCB1 (0.64) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9398463 0.82 ABCC9 (0.69) ABCB1ABCC9
SCHEMBL9397689 0.82 CYP3A4 (0.65) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9397702 0.81 ABCB1 (0.72) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9397785 0.81 ABCB1 (0.72) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL10888269 0.81 ABCC9 (0.67) ABCB1ABCC9CYP3A4
SCHEMBL9398637 0.81 ABCB1 (0.72) ABCB1ABCC9CYP3A4ALOX15

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-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 — — US disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 — — EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 — — US disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 — — US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 — — EP disclosed
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