SCHEMBL9403702

SCHEMBL9403702

CCCCCCCCN(CCCCCCCC)C(=O)NCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
MGLL Q99685 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA9 Q16790 4/20 0.45
CA2 P00918 2/20 0.45
EPHX1 P07099 6/20 0.43
DNM1 Q05193 3/20 0.42
ZDHHC20 Q5W0Z9 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CASP2 P42575 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 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
SCHEMBL75710 1.00 FAAH (0.50) FAAHMGLLCA12CA1CA9
SCHEMBL18868691 0.98 FAAH (0.48) FAAHMGLLCA12CA1CA9
SCHEMBL8951841 0.93 FAAH (0.44) FAAHMGLLCA12CA1CA9
SCHEMBL3966082 0.92 MGLL (0.47) FAAHMGLLCA12CA1CA9
SCHEMBL20733206 0.92 MGLL (0.47) FAAHMGLLCA12CA1CA9
SCHEMBL9509871 0.91 CA12 (0.50) FAAHMGLLCA12CA1CA9
SCHEMBL25272238 0.86 EPHX1 (0.57) FAAHMGLLEPHX1DNM1ZDHHC20
SCHEMBL25272354 0.86 EPHX1 (0.57) FAAHMGLLEPHX1DNM1ZDHHC20
SCHEMBL25272798 0.86 EPHX1 (0.57) FAAHMGLLEPHX1DNM1ZDHHC20
SCHEMBL25272940 0.86 EPHX1 (0.57) FAAHMGLLEPHX1DNM1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6157449-A None JP disclosed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 CN disclosed
CN-1336571-A Kenaf imaging substrate and its formation method EASTMAN KODAK CO (US) 2002-02-20 CN disclosed
JP-H06157449-A PREPARATION OF ISOCYANATE BY DECOMPOSITION OF N,N,N'-TRISUBSTITUTED UREA CHEM LINZ AG 1994-06-03 JP disclosed