SCHEMBL27594635

SCHEMBL27594635

COC(=O)c1ccc(C(C)Br)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL15300311 0.88 NOTUM (0.55) NOTUMCA1CA2CA12CA7
SCHEMBL5874115 0.88 NOTUM (0.55) NOTUMCA1CA2CA12CA7
SCHEMBL20644281 0.87 NOTUM (0.50) NOTUMCA1CA2CA12CA7
SCHEMBL29172065 0.87 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL31733373 0.85 NOTUM (0.53) NOTUMCA1CA2CA12CA7
SCHEMBL25949222 0.83 NOTUM (0.58) NOTUMCA1CA2CA12CA7
SCHEMBL27664817 0.83 KDM4E (0.51) NOTUMCA1CA2CA12CA7
SCHEMBL28752705 0.83 CA12 (0.51) CA1CA2CA12CA7CA9
SCHEMBL25333799 0.82 CA1 (0.46) NOTUMCA1CA2CA12CA7
SCHEMBL9185197 0.82 MAPT (0.55) NOTUMCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN disclosed