SCHEMBL9742155

SCHEMBL9742155

CN(C)C(=O)c1ccc2c(c1)C1OC1C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.40
ALOX5 P09917 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
ABCC9 O60706 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDK2 Q15119 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL482205 0.86 KCNA5 (0.44) KCNA5HPGDALDH1A1
SCHEMBL482483 0.86 KCNA5 (0.44) KCNA5HPGDALDH1A1
SCHEMBL7048877 0.85 KDM4E (0.41)
SCHEMBL7048882 0.85 KDM4E (0.41)
SCHEMBL9876495 0.85 ALDH1A1 (0.41) ALOX5ABCC9ALDH1A1GAA
SCHEMBL7693611 0.85 KDM4E (0.41)
SCHEMBL482263 0.81 ABCC9 (0.49) ABCC9NPC1RAB9AHPGDALDH1A1
SCHEMBL482265 0.81 ABCC9 (0.49) ABCC9NPC1RAB9AHPGDALDH1A1
SCHEMBL10956358 0.81 ALOX5 (0.45) ALOX5ABCC9NPC1RAB9A
SCHEMBL11394655 0.81 ALOX5 (0.45) ALOX5ABCC9NPC1RAB9A

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