SCHEMBL11762017

SCHEMBL11762017

CCCCCCCCC(CC)C(=N)C(CC)CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
MAPK1 P28482 1/20 0.46
CA1 P00915 4/20 0.45
LMNA P02545 1/20 0.44
LAP3 P28838 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL11770563 0.90 CA2 (0.50) CA2LMNALAP3GRIK1GRIK2
SCHEMBL782014 0.90 CA2 (0.56) CA2MAPK1CA1
SCHEMBL27400263 0.84 CA2 (0.45) CA2MAPK1CA1LMNAGRIK1
SCHEMBL27381632 0.84 CA2 (0.45) CA2MAPK1CA1LMNAGRIK1
SCHEMBL28334022 0.82 CA2 (0.52) CA2MAPK1CA1LMNALAP3
SCHEMBL27869376 0.82 CA2 (0.52) CA2MAPK1CA1LMNALAP3
SCHEMBL27473530 0.81 CA2 (0.46) CA2MAPK1CA1LMNAGRIK1
SCHEMBL22430370 0.79 CA2 (0.45) CA2CA1LMNALAP3GRIK1
SCHEMBL13121888 0.79 CA2 (0.54) CA2MAPK1CA1LMNALAP3
SCHEMBL30437067 0.79 CA2 (0.45) CA2MAPK1CA1LMNAGRIK1

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-4048228-A Substituted cyanamidic compounds UOP INC. (US) 1977-09-13 US disclosed