SCHEMBL9801655

SCHEMBL9801655

CC1(C)CN(CCCN)CCO1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GRM2 Q14416 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL9801410 0.89 ALOX15 (0.41) KEAP1SMN1; SMN2GRM2
SCHEMBL11135474 0.83 S1PR1 (0.38) KEAP1SMN1; SMN2SIGMAR1
SCHEMBL16732804 0.81 KEAP1 (0.31) KEAP1SMN1; SMN2
SCHEMBL1515408 0.81 KEAP1 (0.31) KEAP1SMN1; SMN2
SCHEMBL9801567 0.81 KDM4E (0.34) KEAP1SMN1; SMN2GRM2
SCHEMBL5597011 0.80 S1PR1 (0.43) SIGMAR1CYP2D6
SCHEMBL1515594 0.80 KDM4E (0.37) KEAP1SMN1; SMN2GRM2
SCHEMBL16943590 0.79 GBA1 (0.34)
SCHEMBL22282220 0.79 MAPK1 (0.34) SIGMAR1CYP2D6
SCHEMBL4550374 0.79 KDM4E (0.33)

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