SCHEMBL11340928

SCHEMBL11340928

CCCCCCCCCCCCCCCCCCCCCCN(CO)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
MGLL Q99685 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
DNM1 Q05193 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL11787471 1.00 CA12 (0.45) CA12CA1CA9CA2MGLL
SCHEMBL2830964 0.91 CA1 (0.50) CA12CA1CA9CA2MMP1
SCHEMBL25270374 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25272345 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25277862 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25221498 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25272251 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25226892 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25227877 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL25269680 0.89 CA12 (0.50) CA12CA1CA9CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289665-A FAT LIQUORS AND NONIONIC OR ANIONIC SURFACTANTS CASSELLA AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed