SCHEMBL14280616

SCHEMBL14280616

COCCOCCOc1ccc(CI)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
APP P05067 6/20 0.49
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
ACACB O00763 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL14280603 0.94 ACACB (0.42) KDM4ERECQLAPPACACBMAPT
SCHEMBL14280618 0.90 APP (0.47) KDM4ERECQLAPPMAPK1MEN1
SCHEMBL12703538 0.86 KDM4E (0.61) KDM4ERECQLAPPMAPK1TDP1
SCHEMBL3611926 0.86 KDM4E (0.61) KDM4ERECQLAPPMAPK1TDP1
SCHEMBL14168915 0.84 APP (0.44) APP
SCHEMBL14280611 0.84 KDM4E (0.37) KDM4ERECQLAPPMAPK1MEN1
SCHEMBL18431949 0.83 KDM4E (0.56) KDM4ERECQLAPPMAPK1MEN1
SCHEMBL14280606 0.82 KDM4E (0.36) KDM4ERECQLAPPMAPK1MEN1
Ammonia Solution, Strong SCHEMBL23291230 0.81 KDM4E (0.54) KDM4ERECQLAPPMAPK1MEN1
SCHEMBL3097354 0.81 KDM4E (0.50) KDM4ERECQLAPPMAPK1MEN1

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