SCHEMBL9801522

SCHEMBL9801522

CCCCC1CCCC1(N)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ARG1 P05089 3/20 0.38
ARG2 P78540 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GLB1 P16278 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL9801609 0.94 CYP1A2 (0.41) TDP1ARG1ARG2CYP1A2LMNA
SCHEMBL9801464 0.93 CYP1A2 (0.44) TDP1ARG1ARG2CYP1A2LMNA
SCHEMBL9801094 0.88 CA1 (0.38) TDP1ARG1ARG2CA1CA2
SCHEMBL9801310 0.82 CA1 (0.41) CYP1A2NOS1NOS2CA1CA2
SCHEMBL9801355 0.81 CA1 (0.39) CYP1A2NOS1NOS2CA1CA2
SCHEMBL15655838 0.80 TDP1 (0.46) TDP1ARG1ARG2CYP1A2LMNA
SCHEMBL9801020 0.79
SCHEMBL16767016 0.78 TDP1 (0.45) TDP1ARG1ARG2CYP1A2LMNA
SCHEMBL19263000 0.78 TDP1 (0.45) TDP1ARG1ARG2CYP1A2LMNA
SCHEMBL11461027 0.78 SIGMAR1 (0.36) ARG1ARG2

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