SCHEMBL9682025

SCHEMBL9682025

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ABCC9 O60706 5/20 0.34
KCNE1 P15382 5/20 0.34
KCNQ1 P51787 5/20 0.34
ABCB1 P08183 4/20 0.33
AR P10275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KCNA5 P22460 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31

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) ABCC9KCNE1KCNQ1ABCB1L3MBTL1
SCHEMBL9680855 0.86 KCNE1 (0.47) LMNAABCC9KCNE1KCNQ1
SCHEMBL9192059 0.85 KCNE1 (0.43) LMNAABCC9KCNE1KCNQ1ABCB1
SCHEMBL9680937 0.83 ABCC9 (0.40) LMNAABCC9KCNE1KCNQ1L3MBTL1
SCHEMBL9193528 0.83 ABCB1 (0.52) LMNAABCC9KCNE1KCNQ1ABCB1
SCHEMBL9193747 0.83 TYK2 (0.36) ABCC9
SCHEMBL9681478 0.81 ALOX5 (0.40) ABCC9L3MBTL1KCNA5
SCHEMBL9680959 0.79 ALDH1A1 (0.41) MAPK1ABCC9L3MBTL1KDM4EKCNA5
SCHEMBL9199563 0.78 ABCC9 (0.38) LMNAABCC9KCNE1KCNQ1L3MBTL1
SCHEMBL9127063 0.77 IGF1R (0.39) ABCC9

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