SCHEMBL9397752

SCHEMBL9397752

CC(=O)N(NC(=O)OC(C)(C)C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.64
KDM4E B2RXH2 1/20 0.63
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 1/20 0.55
KCNE1 P15382 3/20 0.52
KCNQ1 P51787 3/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
KCND3 Q9UK17 1/20 0.52

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
SCHEMBL9397737 1.00 ABCB1 (0.64) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9397729 1.00 ABCB1 (0.64) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398481 0.90 KDM4E (0.68) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398487 0.90 KDM4E (0.68) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398498 0.90 KDM4E (0.68) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398721 0.87 KDM4E (0.72) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398511 0.87 KDM4E (0.72) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9397668 0.87 KDM4E (0.72) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398694 0.85 KDM4E (0.69) ABCB1KDM4ECYP3A4ALOX15KCNE1
SCHEMBL9398683 0.85 KDM4E (0.69) ABCB1KDM4ECYP3A4ALOX15KCNE1

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