SCHEMBL7258463

SCHEMBL7258463

CC1(C)Oc2ccccc2C(NCCc2ccc(O)cc2)C1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.45
▸ KCNA5 P22460 7/20 0.44
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ IDO1 P14902 2/20 0.37
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL7253762 0.91 ABCB1 (0.53) ABCB1KCNA5SMN1; SMN2KCNE1KCNQ1
SCHEMBL7254190 0.87 ABCB1 (0.43) ABCB1KCNA5SMN1; SMN2
SCHEMBL7258468 0.87 ABCB1 (0.47) ABCB1KCNA5KCNE1KCNQ1IDO1
Hydrochloric Acid SCHEMBL7256857 0.82 KCNA5 (0.44) ABCB1KCNA5SMN1; SMN2
SCHEMBL7258474 0.82 ABCB1 (0.47) ABCB1KCNA5KCNE1KCNQ1IDO1
Hydrochloric Acid SCHEMBL7253190 0.81 ABCB1 (0.47) ABCB1KCNA5KCNE1KCNQ1IDO1
SCHEMBL10446102 0.80 ABCB1 (0.46) ABCB1KCNA5KCNE1KCNQ1IDO1
SCHEMBL7253231 0.78 ABCB1 (0.68) ABCB1KCNA5LMNAKCNE1KCNQ1
SCHEMBL7257087 0.77 MEN1 (0.48) KCNA5SMN1; SMN2
SCHEMBL3603668 0.77 ABCB1 (0.52) ABCB1KCNA5IDO1

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
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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