SCHEMBL7253485

SCHEMBL7253485

COc1ccc(CC(C)NC2c3ccccc3OC(C)(C)C2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 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
SCHEMBL7253488 0.88 ABCB1 (0.48) ABCB1KCNA5
Hydrochloric Acid SCHEMBL11609080 0.75 ABCB1 (0.59) ABCB1KCNE1KCNQ1
Hydrochloric Acid SCHEMBL11609075 0.75 ABCB1 (0.59) ABCB1KCNE1KCNQ1
SCHEMBL7256921 0.74 ABCB1 (0.48) ABCB1SIGMAR1KCNE1KCNQ1
SCHEMBL7257087 0.70 MEN1 (0.48) L3MBTL1MEN1KMT2AALDH1A1KCNA5
SCHEMBL10445891 0.69 ABCB1 (0.51) ABCB1MAPK1KCNE1KCNQ1
SCHEMBL7253231 0.68 ABCB1 (0.68) ABCB1KCNA5KCNE1KCNQ1
SCHEMBL7256886 0.68 ABCB1 (0.38) ABCB1ALDH1A1KCNA5KCNE1KCNQ1
SCHEMBL7253762 0.66 ABCB1 (0.53) ABCB1KCNA5KCNE1KCNQ1
SCHEMBL7258463 0.66 ABCB1 (0.45) ABCB1SIGMAR1KCNA5KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO claimed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO disclosed
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