SCHEMBL14280617

SCHEMBL14280617

ICc1cc(CI)cc(OCCOCCOCCOc2cc(CI)cc(CI)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NCF1 P14598 6/20 0.34
LMNA P02545 2/20 0.33
APP P05067 4/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TSHR P16473 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
SCHEMBL14280620 0.93 KDM4E (0.31) MAPK1KDM4ETDP1MAPT
SCHEMBL14280600 0.90 KDM4E (0.39) MAPK1KDM4ETDP1LMNAAPP
SCHEMBL14280599 0.83 KDM4E (0.34) MAPK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14280618 0.77 APP (0.47) MAPK1KDM4ETDP1SMN1; SMN2NPC1
SCHEMBL14280628 0.74 KDM4E (0.31) MAPK1KDM4ETDP1
SCHEMBL15087926 0.71 ALDH1A1 (0.42) MAPK1KDM4ETDP1SMN1; SMN2MAPT
SCHEMBL5442950 0.71 ALDH1A1 (0.30) ALDH1A1CASP1
SCHEMBL1742085 0.70 APP (0.36) MAPK1KDM4ETDP1SMN1; SMN2NCF1
SCHEMBL14280616 0.70 KDM4E (0.50) MAPK1KDM4ETDP1SMN1; SMN2MAPT
SCHEMBL1742590 0.70 APP (0.36) MAPK1KDM4ETDP1SMN1; SMN2NCF1

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