SCHEMBL9680848

SCHEMBL9680848

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.46
KCNQ1 P51787 5/20 0.46
ABCC9 O60706 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ABCB1 P08183 4/20 0.34
TRPV1 Q8NER1 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9682025 0.87 LMNA (0.34) KCNE1KCNQ1ABCC9L3MBTL1KDM4E
SCHEMBL9680855 0.87 KCNE1 (0.47) KCNE1KCNQ1ABCC9
SCHEMBL9192059 0.86 KCNE1 (0.43) KCNE1KCNQ1ABCC9L3MBTL1GAA
SCHEMBL9193747 0.84 TYK2 (0.36) ABCC9
SCHEMBL9680937 0.84 ABCC9 (0.40) KCNE1KCNQ1ABCC9L3MBTL1KDM4E
SCHEMBL9193528 0.84 ABCB1 (0.52) KCNE1KCNQ1ABCC9KDM4EABCB1
SCHEMBL9681478 0.82 ALOX5 (0.40) ABCC9L3MBTL1
SCHEMBL9680959 0.80 ALDH1A1 (0.41) ABCC9L3MBTL1KDM4E
SCHEMBL9127063 0.78 IGF1R (0.39) ABCC9
SCHEMBL9195248 0.71 SMN1; SMN2 (0.43) KCNE1KCNQ1L3MBTL1KDM4EABCB1

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