SCHEMBL14280599

SCHEMBL14280599

COCCOc1cc(CI)cc(CI)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACACB O00763 1/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CBFB Q13951 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL14280600 0.94 KDM4E (0.39) KDM4EALDH1A1CHRNB2CHRNA4MAOA
SCHEMBL14280620 0.89 KDM4E (0.31) KDM4EMAPK1
SCHEMBL15087926 0.83 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2CYP2D6MAPK1
SCHEMBL14280617 0.83 MAPK1 (0.41) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL14280603 0.79 ACACB (0.42) KDM4ERECQLACACB
SCHEMBL31054298 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14280610 0.76 CHRNB2 (0.32) KDM4ECHRNB2CHRNA4MAOADYRK1A
SCHEMBL2808413 0.75 MEN1 (0.36) KDM4EALDH1A1MEN1KMT2AMAOA
SCHEMBL2810509 0.75 CBFB (0.41) KDM4EALDH1A1CYP1A2CYP2D6MAPK1
SCHEMBL5312355 0.75 MAPK1 (0.37) KDM4EALDH1A1MEN1KMT2AMAOA

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
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed