SCHEMBL6540669

SCHEMBL6540669

CCCCC[N]c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.41
PTPN1 P18031 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL6541738 0.98 SOAT1 (0.43) SOAT1PTPN1CASP3SENP8SENP7
SCHEMBL6540940 0.98 SOAT1 (0.43) SOAT1PTPN1CASP3SENP8SENP7
SCHEMBL6541303 0.98 SOAT1 (0.43) SOAT1PTPN1CASP3SENP8SENP7
SCHEMBL6542098 0.95 CASP3 (0.39) SOAT1PTPN1CASP3SENP8SENP7
SCHEMBL6542125 0.87 CASP3 (0.41) SOAT1CASP3SENP8SENP7SENP6
SCHEMBL6541589 0.87 SOAT1 (0.38) SOAT1PTPN1GSK3B
SCHEMBL6541719 0.85 SOAT1 (0.40) SOAT1PTPN1
SCHEMBL6542038 0.85 SOAT1 (0.40) SOAT1PTPN1
SCHEMBL6541882 0.85 SOAT1 (0.40) SOAT1PTPN1
SCHEMBL6541302 0.81 SOAT1 (0.35) SOAT1PTPN1

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-0006218-B1 SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-26 EP claimed
EP-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed