SCHEMBL14280609

SCHEMBL14280609

COCCOCc1ccc(CI)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ICAM1 P05362 4/20 0.34
SELE P16581 4/20 0.34
TSHR P16473 1/20 0.34
APP P05067 4/20 0.34
NR4A2 P43354 1/20 0.34
VCAM1 P19320 1/20 0.33
NAAA Q02083 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL14280623 0.89 TSHR (0.42) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL18085581 0.83 PTPN2 (0.41) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL7052847 0.81 IDO1 (0.46) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL7606495 0.81 AGXT (0.50) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL3106528 0.81 IDO1 (0.50) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL23145906 0.79 PTPN2 (0.42) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL7055711 0.79 IDO1 (0.45) PTPN2PTPN1PTPN6L3MBTL1TDP1
SCHEMBL22519873 0.79 IDO1 (0.48) PTPN2PTPN1PTPN6L3MBTL1APP
SCHEMBL22519890 0.79 IDO1 (0.48) PTPN2PTPN1PTPN6TDP1APP
SCHEMBL842223 0.79 IDO1 (0.45) PTPN2PTPN1PTPN6L3MBTL1TDP1

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