SCHEMBL9801310

SCHEMBL9801310

CCCC1CCCCC1(N)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
TRPA1 O75762 3/20 0.31
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
CYP1A2 P05177 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL9801355 0.98 CA1 (0.39) CA1CA2CA4TRPA1NOS3
SCHEMBL9801094 0.94 CA1 (0.38) CA1CA2CA4GBA1
SCHEMBL9801609 0.89 CYP1A2 (0.41) CA1CA2CA4NOS1NOS2
SCHEMBL9801464 0.87 CYP1A2 (0.44) CA1CA2CA4NOS1NOS2
SCHEMBL9801203 0.83 TRPA1 (0.33) CA1CA2CA4TRPA1
SCHEMBL9801522 0.82 TDP1 (0.44) CA1CA2CA4NOS1NOS2
SCHEMBL9801102 0.82 TRPA1 (0.32) TRPA1CYP1A2
SCHEMBL11453063 0.82 TRPA1 (0.35) TRPA1
SCHEMBL11461027 0.80 SIGMAR1 (0.36) TRPA1
SCHEMBL10486952 0.79 CA1 (0.39) CA1CA2CA4CYP1A2

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed