SCHEMBL11315449

SCHEMBL11315449

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 1/20 0.44
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 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
SCHEMBL5712587 1.00 CA12 (0.44) CA12CA1CA9CA2SOAT1
SCHEMBL10341598 1.00 CA12 (0.44) CA12CA1CA9CA2SOAT1
SCHEMBL30181752 0.93 CA12 (0.39) CA12CA1CA9CA2SOAT1
SCHEMBL28212587 0.92 MGLL (0.46) CA12CA1CA9CA2SOAT1
SCHEMBL9516432 0.92 MGLL (0.46) CA12CA1CA9CA2SOAT1
SCHEMBL28551737 0.91 KDM5A (0.49) CA12CA1CA9CA2SOAT1
SCHEMBL28938901 0.91 CA12 (0.40) CA12CA1CA9CA2SOAT1
SCHEMBL28728183 0.91 CA12 (0.40) CA12CA1CA9CA2SOAT1
SCHEMBL28728398 0.91 CA12 (0.40) CA12CA1CA9CA2SOAT1
SCHEMBL23748010 0.87 CA12 (0.50) CA12CA1CA9CA2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56129235-A None JP disclosed
JP-S56129235-A EXPANDABLE SYNTHETIC RESIN COMPOSITION ASAHI CHEM IND CO LTD 1981-10-09 JP disclosed