SCHEMBL9744107

SCHEMBL9744107

CC(=O)SC[C@@H](C)C(=O)O[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1Br

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.49
ABCB1 P08183 17/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL10435142 1.00 ABCC9 (0.49) ABCC9ABCB1KDM4ECYP3A4ALOX15
SCHEMBL9742060 0.89 ABCC9 (0.51) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL9742725 0.88 ABCC9 (0.47) ABCC9ABCB1KDM4E
SCHEMBL9744022 0.87 ABCC9 (0.54) ABCC9ABCB1
SCHEMBL9744268 0.86 ABCC9 (0.46) ABCC9ABCB1KDM4E
SCHEMBL9743244 0.86 ABCC9 (0.46) ABCC9ABCB1CYP3A4ALOX15
SCHEMBL9743250 0.86 ABCC9 (0.49) ABCC9ABCB1
SCHEMBL9744538 0.85 ABCC9 (0.44) ABCC9ABCB1
SCHEMBL9742906 0.85 ABCC9 (0.44) ABCC9ABCB1
SCHEMBL9744535 0.85 ABCC9 (0.44) 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
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed