SCHEMBL9737765

SCHEMBL9737765

COCC1(C)Oc2ccc(C#N)cc2C(Oc2ccc(=O)[nH]n2)C1(C)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.38
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KCND3 Q9UK17 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34

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
SCHEMBL7331735 0.87 ABCB1 (0.39) ABCB1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL9735545 0.86
SCHEMBL9735313 0.84 ALOX5 (0.32) MEN1KMT2A
SCHEMBL9736949 0.84 MAPT (0.32) MEN1KMT2A
SCHEMBL9735752 0.83 ABCB1 (0.36) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9735910 0.82 ABCC9 (0.42) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9736242 0.81 ABCB1 (0.38) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9735693 0.79 ABCC9 (0.39) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL7327762 0.76 ABCC9 (0.54) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9735704 0.74 ABCC9 (0.38) ABCB1KCNE1KCNQ1MEN1CYP1A2

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed