SCHEMBL14280623

SCHEMBL14280623

ICc1ccc(COCCOCc2ccc(CI)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
NAAA Q02083 3/20 0.37
IDO1 P14902 5/20 0.36
CYP3A4 P08684 2/20 0.36
LTA4H P09960 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
APP P05067 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14280609 0.89 PTPN2 (0.39) TSHRPTPN2PTPN1PTPN6NAAA
SCHEMBL14280640 0.87 PTPN2 (0.38) TSHRPTPN2PTPN1PTPN6NAAA
SCHEMBL14280658 0.81 ADRB2 (0.35) PTPN2PTPN1PTPN6
SCHEMBL14280649 0.81 ADRB2 (0.35) PTPN2PTPN1PTPN6
SCHEMBL9468828 0.80 TDP1 (0.44) CYP3A4TDP1L3MBTL1
SCHEMBL14280667 0.78 PTPN2 (0.33) PTPN2PTPN1PTPN6
SCHEMBL18533020 0.78 TSHR (0.42) TSHRIDO1CYP3A4LTA4HAPP
SCHEMBL649682 0.76 ALDH1A1 (0.37) TSHRIDO1CYP3A4HRH3TDP1
SCHEMBL134086 0.76 IDO1 (0.61) TSHRPTPN2PTPN1PTPN6IDO1
SCHEMBL7940753 0.74 IDO1 (0.54) TSHRPTPN2PTPN1PTPN6NAAA

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