SCHEMBL4880653

SCHEMBL4880653

CCCCCCC([C](c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CSNK1E P49674 1/20 0.43
NAAA Q02083 3/20 0.42
ASAH1 Q13510 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ACER2 Q5QJU3 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL9306203 1.00 CES2 (0.44) CES2CES1CSNK1ENAAAASAH1
SCHEMBL11119491 1.00 CES2 (0.44) CES2CES1CSNK1ENAAAASAH1
SCHEMBL6455814 0.93 POLB (0.44) CES2CES1ALDH1A1OPRM1OPRD1
SCHEMBL22471826 0.82 NAAA (0.51) CES2CES1CSNK1ENAAAASAH1
SCHEMBL11058895 0.82 CSNK1E (0.45) CSNK1ENAAAASAH1ALDH1A1ACER2
SCHEMBL22471814 0.82 NAAA (0.51) CES2CES1CSNK1ENAAAASAH1
SCHEMBL28256178 0.82 NAAA (0.51) CES2CES1CSNK1ENAAAASAH1
SCHEMBL22471868 0.82 NAAA (0.51) CES2CES1CSNK1ENAAAASAH1
SCHEMBL22471835 0.82 NAAA (0.51) CES2CES1CSNK1ENAAAASAH1
SCHEMBL27583368 0.82 PTGS2 (0.44) CES2CES1CSNK1ENAAAASAH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107905-A1 crosslinked rubber layer containing a copolymer of acrylonitrile, butadiene modified with monobutyl maleate or itaconate, a modified polyethyl acrylate or copolymer with acrylonitrile, a hexamethylenediamine carbamate crosslinker, a phosphonium benzotriazole salt, a fluoropolymer; oil, ozone resistance ZEON CORPORATION (JP) 2008-05-08 US disclosed
EP-1795341-A1 LAYERED RUBBER PRODUCT ZEON CORPORATION (JP) 2007-06-13 EP disclosed
US-6037062-A Layered molding TOYODA GOSEI CO., LTD. (JP) 2000-03-14 US disclosed
US-5798158-A LAYERED FLUORINE-CONTAINING COPOLYMER OR TERPOLYMER, EPICHLOROHYDRIN RUBBER CONTAINING ORGANIC PHOSPHONIUM COMPOUND CROSSLINKED AT INTERFACE TOYODA GOSEI CO., LTD. (JP) 1998-08-25 US disclosed