SCHEMBL13199564

SCHEMBL13199564

CC(C)(C)OC(=O)N(CCc1ccccc1)[C@H]1c2ccc(NS(C)(=O)=O)cc2OC(C)(C)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.41
KCNE1 P15382 4/20 0.40
KCNQ1 P51787 4/20 0.40
KCNA5 P22460 5/20 0.39
PTPN1 P18031 1/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL13199568 0.92 ABCB1 (0.41) ABCB1KCNE1KCNQ1KCNA5CYP3A4
SCHEMBL13199579 0.91 ABCB1 (0.40) ABCB1KCNE1KCNQ1KCNA5PTPN1
SCHEMBL13199624 0.90 ABCB1 (0.44) ABCB1KCNE1KCNQ1KCNA5CYP3A4
SCHEMBL13199571 0.89 KCNA5 (0.45) ABCB1KCNA5ALDH1A1
SCHEMBL13199641 0.87 ABCB1 (0.42) ABCB1KCNE1KCNQ1KCNA5CYP3A4
SCHEMBL13199529 0.86 ABCB1 (0.43) ABCB1KCNE1KCNQ1KCNA5ALDH1A1
SCHEMBL13199594 0.85 KCNE1 (0.44) ABCB1KCNE1KCNQ1KCNA5CYP3A4
SCHEMBL13199561 0.84 ABCB1 (0.45) ABCB1KCNE1KCNQ1KCNA5CYP3A4
SCHEMBL13199622 0.83 ABCB1 (0.44) ABCB1KCNE1KCNQ1KCNA5ALDH1A1
SCHEMBL13199556 0.82 NR3C1 (0.37) ABCB1KCNE1KCNQ1KCNA5

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-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed