SCHEMBL9801739

SCHEMBL9801739

CCCN1CCN(CCCN)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CPB2 Q96IY4 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 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
SCHEMBL9801186 0.91 SLC29A1 (0.41) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801470 0.89 ALOX15 (0.43) SLC29A1ALOX15
SCHEMBL9801478 0.89 KEAP1 (0.38) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801699 0.88 KEAP1 (0.37) SLC29A1KEAP1SMN1; SMN2CPB2GNAI3
SCHEMBL9801597 0.85 HTR1A (0.36) SLC29A1SIGMAR1
SCHEMBL9801595 0.83 SLC29A1 (0.40) SLC29A1KEAP1SMN1; SMN2CPB2SIGMAR1
SCHEMBL9801387 0.83 SLC29A1 (0.39) SLC29A1GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL9800998 0.81 SLC29A1 (0.38) SLC29A1KEAP1SMN1; SMN2ALOX15
SCHEMBL9801620 0.80 ALOX15 (0.48) SLC29A1SIGMAR1ALOX15
SCHEMBL9802131 0.79 KEAP1 (0.33) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6

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