SCHEMBL10917581

SCHEMBL10917581

CC1(C)Oc2ccccc2[C@H](NC=O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.50
▸ KCNE1 P15382 1/20 0.46
▸ KCNQ1 P51787 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ ABCC9 O60706 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KCNA5 P22460 1/20 0.37

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
SCHEMBL10917589 1.00 ABCB1 (0.50) ABCB1KCNE1KCNQ1KMT2AABCC9
SCHEMBL10917584 1.00 ABCB1 (0.50) ABCB1KCNE1KCNQ1KMT2AABCC9
SCHEMBL10445891 0.81 ABCB1 (0.51) ABCB1KCNE1KCNQ1ABCC9MAPK1
SCHEMBL10434447 0.78 ABCB1 (0.43) ABCB1KCNE1KCNQ1ABCC9
SCHEMBL10889481 0.77 ABCC9 (0.66) ABCB1ABCC9
SCHEMBL10889492 0.77 ABCC9 (0.66) ABCB1ABCC9
SCHEMBL10889496 0.77 ABCC9 (0.66) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11609075 0.76 ABCB1 (0.59) ABCB1KCNE1KCNQ1ABCC9
Hydrochloric Acid SCHEMBL11609080 0.76 ABCB1 (0.59) ABCB1KCNE1KCNQ1ABCC9
SCHEMBL13767833 0.76 ABCB1 (0.47) ABCB1KCNE1KCNQ1ABCC9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 — — EP claimed
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