SCHEMBL3381908

SCHEMBL3381908

C[C]1CC/C(C)=C\CC/C(C)=C\C/C=C/1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
GLI1 P08151 1/20 0.33
CYP3A4 P08684 1/20 0.33
GLI2 P10070 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
SCHEMBL3381906 1.00 PTPN1 (0.42) PTPN1GLI1CYP3A4GLI2
SCHEMBL13209085 0.79 PTPN1 (0.44) PTPN1GLI1CYP3A4GLI2
SCHEMBL2902703 0.75 PTPN1 (0.56) PTPN1GLI1CYP3A4GLI2
SCHEMBL2902702 0.75 PTPN1 (0.56) PTPN1GLI1CYP3A4GLI2
SCHEMBL2902701 0.75 PTPN1 (0.56) PTPN1GLI1CYP3A4GLI2
SCHEMBL1269324 0.75 PTPN1 (0.54) PTPN1GLI1CYP3A4GLI2
SCHEMBL316206 0.75 PTPN1 (0.54) PTPN1GLI1CYP3A4GLI2
SCHEMBL2897873 0.75 PTPN1 (0.54) PTPN1GLI1CYP3A4GLI2
SCHEMBL316207 0.75 PTPN1 (0.54) PTPN1GLI1CYP3A4GLI2
SCHEMBL2897875 0.75 PTPN1 (0.54) PTPN1GLI1CYP3A4GLI2

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
EP-1656441-B1 BLOOMING SOAP BARS PROCTER & GAMBLE (US) 2010-11-24 EP disclosed
US-6890894-B2 Fatty acids, soaps surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2005-05-10 US disclosed
US-20040092418-A1 Fatty acids, soaps surfactant systems, and consumer products based thereon CONNOR DANIEL STEDMAN (US) 2004-05-13 US disclosed