SCHEMBL5041135

SCHEMBL5041135

COP(=O)(Cc1cccc(C#N)c1)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.63
IDH1 O75874 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CREBBP Q92793 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MAOB P27338 1/20 0.40
VNN1 O95497 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL7885314 0.89 GLA (0.61) GLAIDH1FFAR1FFAR4MEN1
SCHEMBL29732415 0.84 GLA (0.60) GLAIDH1FFAR1FFAR4MRGPRX4
SCHEMBL1680699 0.84 GLA (0.60) GLAIDH1FFAR1FFAR4MRGPRX4
SCHEMBL9165273 0.82 GLA (0.39) GLAMEN1KMT2ACYP19A1
SCHEMBL11872387 0.82 GLA (0.57) GLAIDH1FFAR1FFAR4MRGPRX4
SCHEMBL18016324 0.81 GLA (0.69) GLAIDH1FFAR1FFAR4CREBBP
SCHEMBL5718103 0.80 CYP2A6 (0.48) GLAALDH1A1MAPTTSHRHTT
SCHEMBL6395228 0.78 GLA (0.64) GLAIDH1FFAR1FFAR4MEP1A
SCHEMBL18313839 0.77 GLA (1.00) GLAIDH1FFAR1FFAR4ALDH1A1
SCHEMBL11747808 0.77 GLA (0.58) GLAIDH1FFAR1FFAR4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224353-B1 MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA SC HOLDING AG (CH) 2008-01-09 EP disclosed
EP-1210476-B1 MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA SC HOLDING AG (CH) 2006-06-14 EP disclosed
US-6783698-B1 ISOMERS OF CYANO-SUBSTITUTED 1,4-BIS-STYRYLBENZENES FOR WHITENING POLYESTER FIBERS CIBA SPECIALTY CHEMICALS CORPORATION 2004-08-31 US disclosed
US-6719922-B1 ISOMERS OF CYANO-SUBSTITUTED 1,4-BIS-STYRYLBENZENES; SYNTHETIC POLYESTER FIBERS CIBA SPECIALTY CHEMICALS CORPORATION 2004-04-13 US disclosed
EP-1224353-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2002-07-24 EP disclosed
EP-1210476-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2002-06-05 EP disclosed
WO-2001031111-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-05-03 WO disclosed
WO-2001018301-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-15 WO disclosed
US-4303640-A POLYVINYL ALCOHOL OR GUM ARABIC AND A THICKENER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1981-12-01 US disclosed
US-4016195-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3957846-A OPTICAL BRIGHTENERS, LACQUERS, SYNTHETIC FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed