SCHEMBL6743772

SCHEMBL6743772

CCCCCCCC(OP(OC(CCCCCCC)c1ccccc1)OC(CCCCCCC)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
SLC7A5 Q01650 2/20 0.40
CSNK1E P49674 1/20 0.40
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
NAAA Q02083 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 2/20 0.37
ASAH1 Q13510 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC2A1 P11166 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL6745865 1.00 HTR2A (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL7107592 1.00 HTR2A (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL6561007 1.00 HTR2A (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL29036388 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL11880593 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL7107597 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL6462221 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL4443871 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL6561015 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1
SCHEMBL6743782 0.87 CSNK1E (0.41) HTR2ASLC7A5CSNK1EALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790914-B2 TRANSPARENT (CROSSLINKED) RESIN FILM CAN BE USED AS A POLARIZING FILM, SURFACE PROTECTIVE FILM, RETARDATION FILM, TRANSPARENT CONDUCTIVE FILM, LIGHT DIFFUSION FILM, FILM FOR AN EL DISPLAY DEVICE, TRANSPARENT CONDUCTIVE COMPOSITE MATERIAL, JSR CORPORATION (JP) 2004-09-14 US disclosed
US-20040106740-A1 Resin film and applications thereof JSR CORPORATION (JP) 2004-06-03 US disclosed
EP-1195397-B1 Composition of cyclic olefin addition copolymer and cross-linked material JSR CORP (JP) 2004-04-14 EP disclosed
US-20020042461-A1 Composition of cyclic olefin addition copolymer and cross-linked material JSR CORPORATION (JP) 2002-04-11 US disclosed
EP-1195397-A1 Composition of cyclic olefin addition copolymer and cross-linked material JSR Corporation (JP) 2002-04-10 EP disclosed