SCHEMBL14280618

SCHEMBL14280618

ICc1ccc(OCCOCCOCCOc2ccc(CI)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.47
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL14168915 0.93 APP (0.44) APPHRH3
SCHEMBL14280616 0.90 KDM4E (0.50) APPMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL14280642 0.86 APP (0.38) APPMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL9705878 0.86 KCNA3 (0.50) APPL3MBTL1HRH3
SCHEMBL15086522 0.84 APP (0.41) APPHRH3
SCHEMBL23798501 0.83 ABCG2 (0.46) APPMAPK1SMN1; SMN2MEN1USP2
SCHEMBL14280603 0.83 ACACB (0.42) APPKDM4ERECQLMAPTHRH3
SCHEMBL14280632 0.81 APP (0.34) APPMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL14280652 0.80 HTT (0.37) APPMAPK1SMN1; SMN2MEN1USP2
SCHEMBL14280641 0.80 HTT (0.37) APPMAPK1SMN1; SMN2MEN1USP2

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