SCHEMBL14280640

SCHEMBL14280640

ICc1ccc(COCCOCC(COCCOCc2ccc(CI)cc2)(COCCOCc2ccc(CI)cc2)COCCOCc2ccc(CI)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NAAA Q02083 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
LTA4H P09960 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
SCHEMBL14280623 0.87 TSHR (0.42) PTPN2PTPN1PTPN6TSHRNAAA
SCHEMBL14280663 0.84
SCHEMBL14280638 0.82 KCNH2 (0.32)
SCHEMBL14280642 0.81 APP (0.38) ALDH1A1KDM4EHRH3LTA4H
SCHEMBL14280632 0.79 APP (0.34) ALDH1A1KDM4E
SCHEMBL14280633 0.78 APP (0.33) ALDH1A1KDM4E
SCHEMBL14280609 0.78 PTPN2 (0.39) PTPN2PTPN1PTPN6TSHRNAAA
SCHEMBL15137436 0.76 TSHR (0.48) PTPN2PTPN1PTPN6TSHRALDH1A1
SCHEMBL14280611 0.73 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL14280606 0.72 KDM4E (0.36) ALDH1A1KDM4E

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 1 patent. 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