SCHEMBL9801558

SCHEMBL9801558

CC(CCCO)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 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
SCHEMBL25365456 0.98 ALDH1A1 (0.33) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL27695746 0.91 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1POLBMAPTTDP1
SCHEMBL2411752 0.86 SMN1; SMN2 (0.34) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL3272375 0.84 MAPT (0.35) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL21540021 0.81 CYP3A4 (0.38) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL23869469 0.81 CYP3A4 (0.38) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4556064 0.80 HRH3 (0.44) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL24114952 0.80 HRH3 (0.44) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL1252325 0.80 LMNA (0.39) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL15362961 0.80 LMNA (0.39) SMN1; SMN2CYP3A4CYP2D6CYP2C19ALDH1A1

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