SCHEMBL9451996

SCHEMBL9451996

CC(NC(=O)OCc1ccccc1)C(=O)O[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1Br

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
ABCB1 P08183 16/20 0.47
ABCC9 O60706 2/20 0.47
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 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
SCHEMBL9451999 1.00 CYP3A4 (0.49) CYP3A4ALOX15ABCB1ABCC9CTSL
SCHEMBL10512956 0.87 CYP1A2 (0.44) CYP3A4CTSLCTSBCTSSCTSK
SCHEMBL10515016 0.81 CYP3A4 (0.50) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL10515010 0.78 CYP3A4 (0.49) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9742060 0.77 ABCC9 (0.51) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216552 0.77 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216538 0.77 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216547 0.77 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9744107 0.76 ABCC9 (0.49) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL10435142 0.76 ABCC9 (0.49) CYP3A4ALOX15ABCB1ABCC9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273998-A Process for making an optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
US-5177216-A DIASTEREOMERIC ESTER COMPOUND USEFUL AS AN INTERMEDIATE IN THE MAKING OF AN OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0456266-A1 Method for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds, intermediates therefor and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-13 EP disclosed
US-4988723-A Hypotensive agents, vasodilation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed