SCHEMBL9680855

SCHEMBL9680855

CC1(C)Oc2ccc(Cl)cc2C(c2ccc[nH]c2=O)C1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
ABCC9 O60706 14/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1E Q15878 1/20 0.39

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
SCHEMBL9680848 0.87 KCNE1 (0.46) KCNE1KCNQ1ABCC9
SCHEMBL9682025 0.86 LMNA (0.34) KCNE1KCNQ1ABCC9LMNA
SCHEMBL9192059 0.85 KCNE1 (0.43) KCNE1KCNQ1ABCC9LMNA
SCHEMBL9193528 0.83 ABCB1 (0.52) KCNE1KCNQ1ABCC9LMNA
SCHEMBL9680937 0.83 ABCC9 (0.40) KCNE1KCNQ1ABCC9LMNAHTT
SCHEMBL9193747 0.83 TYK2 (0.36) ABCC9
SCHEMBL9681478 0.81 ALOX5 (0.40) ABCC9
SCHEMBL9680959 0.79 ALDH1A1 (0.41) ABCC9TP53
SCHEMBL9127063 0.77 IGF1R (0.39) ABCC9
SCHEMBL9194242 0.73 TP53 (0.46) KCNE1KCNQ1ABCC9LMNATP53

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
US-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed
EP-0406656-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-09 EP disclosed