SCHEMBL4716888

SCHEMBL4716888

CCCCCCCCCCCCCCCCNC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.50
EPHX1 P07099 8/20 0.49
NAAA Q02083 1/20 0.47
FAAH O00519 2/20 0.44
ACE2 Q9BYF1 1/20 0.44
MMP8 P22894 1/20 0.43
CNR1 P21554 1/20 0.43
BLM P54132 1/20 0.42
RRM1 P23921 1/20 0.42
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL14273835 1.00 CASP2 (0.50) CASP2EPHX1NAAAFAAHACE2
SCHEMBL14414107 1.00 CASP2 (0.50) CASP2EPHX1NAAAFAAHACE2
SCHEMBL9321698 0.87 CASP2 (0.56) CASP2EPHX1NAAAFAAHRRM1
SCHEMBL10629979 0.84 BLM (0.44) NAAACNR1BLM
SCHEMBL62131 0.82 BLM (0.46) CNR1BLM
SCHEMBL24047859 0.81 CASP2 (0.62) CASP2EPHX1NAAAFAAHMMP8
SCHEMBL15855111 0.81 CASP2 (0.62) CASP2EPHX1NAAAFAAHMMP8
SCHEMBL15855158 0.81 CASP2 (0.62) CASP2EPHX1NAAAFAAHMMP8
SCHEMBL15855095 0.81 CASP2 (0.62) CASP2EPHX1NAAAFAAHMMP8
SCHEMBL18231905 0.81 CNR1 (0.56) CASP2NAAAFAAHCNR1

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
CN-101404985-A Autoimmune conditions and NADPH oxidase defects BIOVITRUM AB PUBL (SE) 2009-04-08 CN disclosed
EP-2004159-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS Biovitrum AB (publ) (SE) 2008-12-24 EP disclosed
WO-2007104790-A1 AUTOIMMUNE CONDITIONS AND NADPH OXIDASE DEFECTS BIOVITRUM AB (PUBL) (SE) 2007-09-20 WO disclosed