SCHEMBL9801595

SCHEMBL9801595

CC1(C)CN(CCCO)CCN1CCCN

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.40
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.31
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
SCHEMBL9801616 0.92 SLC29A1 (0.38) SLC29A1
SCHEMBL9800998 0.92 SLC29A1 (0.38) SLC29A1KEAP1SMN1; SMN2
SCHEMBL9801563 0.92 SLC29A1 (0.44) SLC29A1
SCHEMBL9801186 0.92 SLC29A1 (0.41) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801478 0.86 KEAP1 (0.38) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801317 0.86 SLC29A1 (0.40) SLC29A1
SCHEMBL9801739 0.83 SLC29A1 (0.36) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801387 0.83 SLC29A1 (0.39) SLC29A1SIGMAR1
SCHEMBL9801415 0.81 ALOX15 (0.37) SLC29A1
SCHEMBL9801204 0.81 SLC29A1 (0.37) SLC29A1

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