SCHEMBL9801609

SCHEMBL9801609

CCCCC1CCCCC1(N)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
GLB1 P16278 1/20 0.32
DPP4 P27487 1/20 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
SCHEMBL9801464 0.98 CYP1A2 (0.44) CYP1A2TDP1CA1CA2CA4
SCHEMBL9801522 0.94 TDP1 (0.44) CYP1A2TDP1CA1CA2CA4
SCHEMBL9801310 0.89 CA1 (0.41) CYP1A2CA1CA2CA4NOS1
SCHEMBL9801355 0.87 CA1 (0.39) CYP1A2CA1CA2CA4NOS1
SCHEMBL11461027 0.85 SIGMAR1 (0.36) ARG1ARG2
SCHEMBL27904453 0.82 CYP1A2 (0.45) CYP1A2TDP1ARG1ARG2NOS1
SCHEMBL9801094 0.82 CA1 (0.38) TDP1CA1CA2CA4ARG1
SCHEMBL855821 0.81 CYP1A2 (0.43) CYP1A2TDP1CA1CA2CA4
SCHEMBL9801203 0.80 TRPA1 (0.33) CA1CA2CA4
SCHEMBL9801102 0.79 TRPA1 (0.32) CYP1A2

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