SCHEMBL9801094

SCHEMBL9801094

CCCC1CCCC1(N)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ARG1 P05089 3/20 0.33
ARG2 P78540 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GBA1 P04062 2/20 0.31

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
SCHEMBL9801310 0.94 CA1 (0.41) CA1CA2CA4GBA1
SCHEMBL9801355 0.92 CA1 (0.39) CA1CA2CA4
SCHEMBL9801522 0.88 TDP1 (0.44) CA1CA2CA4ARG1ARG2
SCHEMBL9801020 0.83
SCHEMBL9801609 0.82 CYP1A2 (0.41) CA1CA2CA4ARG1ARG2
SCHEMBL9801464 0.81 CYP1A2 (0.44) CA1CA2CA4ARG1ARG2
SCHEMBL11457409 0.81 ARG1 (0.34) ARG1ARG2
SCHEMBL4789012 0.81 ARG1 (0.34) ARG1ARG2
SCHEMBL15658188 0.78 CA1 (0.35) CA1CA2CA4TDP1
SCHEMBL9801203 0.77 TRPA1 (0.33) CA1CA2CA4

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