SCHEMBL14280602

SCHEMBL14280602

COCCOCCOc1ccc(C(C)I)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
RECQL P46063 1/20 0.47
APP P05067 2/20 0.40
CHEK1 O14757 1/20 0.39
ACACB O00763 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL14280621 0.93 KDM4E (0.41) KDM4ERECQLAPPTDP1MAPK1
SCHEMBL18127062 0.86 KDM4E (0.50) KDM4ERECQLAPPCNR1CNR2
SCHEMBL15275317 0.86 KDM4E (0.50) KDM4ERECQLAPPCNR1CNR2
SCHEMBL13981330 0.86 KDM4E (0.50) KDM4ERECQLAPPCNR1CNR2
SCHEMBL12703538 0.83 KDM4E (0.61) KDM4ERECQLAPPCHEK1TDP1
SCHEMBL3611926 0.83 KDM4E (0.61) KDM4ERECQLAPPCHEK1TDP1
SCHEMBL18125694 0.81 ALDH1A1 (0.54) KDM4ERECQLTDP1L3MBTL1MEN1
SCHEMBL13851235 0.81 ALDH1A1 (0.54) KDM4ERECQLTDP1L3MBTL1MEN1
SCHEMBL18125693 0.81 ALDH1A1 (0.54) KDM4ERECQLTDP1L3MBTL1MEN1
SCHEMBL24388707 0.80 KDM4E (0.45) KDM4ERECQLAPPCHEK1ACACB

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-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
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