SCHEMBL17181577

SCHEMBL17181577

Cc1cc(C(C)(C(=O)OCCOCCOCCOCCOCCOCCO)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 3/20 0.35
GAA P10253 2/20 0.35
GSR P00390 2/20 0.34
VCAM1 P19320 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CHRM5 P08912 1/20 0.33
SERPINE1 P05121 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL29416252 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CHRM2GAA
SCHEMBL170476 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CHRM2GAA
SCHEMBL29695404 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CHRM2GAA
SCHEMBL3683437 0.93 GSR (0.39) CHRM2GAAGSRVCAM1HTT
SCHEMBL31501825 0.93 GSR (0.39) CHRM2GAAGSRVCAM1HTT
SCHEMBL2474150 0.92 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CHRM2GAA
Ethylene SCHEMBL10704938 0.90 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19CHRM2GAA
Triethylene Glycol SCHEMBL170477 0.87 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19GAAGSR
SCHEMBL7080496 0.85 GSR (0.43) CYP1A2CYP2C9CYP2C19CHRM2GAA
SCHEMBL31360779 0.83 SMN1; SMN2 (0.47) CYP2C9CYP2C19GAAGSRVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299427-A1 MELAMINE FREE COMPOSITE ADDITIVE FOR POLYOXYMETHYLENE FDC,LEES CHEMICAL INDUSTRY CO., LTD. (TW) 2015-10-22 US claimed
WO-2023078375-A1 ANTI-FOG COATING AND PREPARATION METHOD THEREFOR, AND ANTI-FOG GLASS 福耀玻璃工业集团股份有限公司 2023-05-11 WO disclosed
US-20150299427-A1 MELAMINE FREE COMPOSITE ADDITIVE FOR POLYOXYMETHYLENE FDC,LEES CHEMICAL INDUSTRY CO., LTD. (TW) 2015-10-22 US disclosed