SCHEMBL20007759

SCHEMBL20007759

COc1ccc(O)c(OC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BCHE P06276 1/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL9647072 0.88 PARP10 (0.50) ALDH1A1GAAKMT2AMCL1
SCHEMBL26980914 0.87 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3720893 0.85 MAOB (0.53) ALDH1A1MEN1GAABLMKMT2A
SCHEMBL13791695 0.84 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL595280 0.81 MAOB (0.64) CA12CA1CA2CA7CA9
SCHEMBL24994755 0.79 CA1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7691095 0.79 APP (0.43) BCHEACHE
SCHEMBL12180487 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL7726674 0.78 MAOB (0.59) CA12CA1CA2CA7CA9
SCHEMBL15283397 0.77 ALDH1A1 (0.66) CA12CA1CA2CA7CA9

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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed