SCHEMBL9192059

SCHEMBL9192059

CC1(C)Oc2ccccc2C(c2ccc[nH]c2=O)C1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.43
KCNQ1 P51787 4/20 0.43
ABCB1 P08183 2/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TNKS O95271 1/20 0.36
GAA P10253 1/20 0.36
DAO P14920 1/20 0.34
IDO1 P14902 1/20 0.34
ABCC9 O60706 3/20 0.34
LMNA P02545 2/20 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
SCHEMBL9680848 0.86 KCNE1 (0.46) KCNE1KCNQ1ABCB1L3MBTL1GAA
SCHEMBL9680855 0.85 KCNE1 (0.47) KCNE1KCNQ1ABCC9LMNA
SCHEMBL9682025 0.85 LMNA (0.34) KCNE1KCNQ1ABCB1L3MBTL1ABCC9
SCHEMBL9193747 0.82 TYK2 (0.36) ABCC9
SCHEMBL9680937 0.82 ABCC9 (0.40) KCNE1KCNQ1ALDH1A1L3MBTL1GAA
SCHEMBL9193528 0.82 ABCB1 (0.52) KCNE1KCNQ1ABCB1ABCC9LMNA
SCHEMBL9681478 0.80 ALOX5 (0.40) L3MBTL1ABCC9
SCHEMBL9680959 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1ABCC9
SCHEMBL9127063 0.76 IGF1R (0.39) IDO1ABCC9
SCHEMBL9199681 0.72 TRPV1 (0.38) ALDH1A1L3MBTL1TNKSGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406656-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1995-01-11 EP disclosed
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