SCHEMBL28147404

SCHEMBL28147404

CC1Oc2ccccc2CC1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.41
MAOB P27338 6/20 0.41
AOC2 O75106 5/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ANPEP P15144 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL462821 0.80 MAOA (0.42) MAOAMAOBAOC2DAOHPGD
SCHEMBL30888361 0.80 MAOA (0.42) MAOAMAOBAOC2DAOHPGD
SCHEMBL8504530 0.80 CHRM2 (0.41) MAOAMAOBAOC2DAOHPGD
SCHEMBL27927910 0.77 MAOA (0.41) MAOAMAOBAOC2DAOHPGD
SCHEMBL7676077 0.77 ANPEP (0.44) MAOAMAOBAOC2DAOHPGD
SCHEMBL7313976 0.77 AOC2 (0.41) MAOAMAOBAOC2DAOHPGD
SCHEMBL27735931 0.77 MAOA (0.44) MAOAMAOBAOC2DAOHPGD
SCHEMBL7676084 0.77 ANPEP (0.44) MAOAMAOBAOC2DAOHPGD
SCHEMBL14742596 0.77 ANPEP (0.44) MAOAMAOBAOC2DAOHPGD
SCHEMBL7676082 0.77 ANPEP (0.44) MAOAMAOBAOC2DAOHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660978-A 2-(2,3-epoxypropyl)phenol composition and method of making 沙特基础工业全球技术有限公司 2017-05-10 CN disclosed