SCHEMBL9801699

SCHEMBL9801699

CCN1CCN(CCCN)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC29A1 Q99808 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL9801257 0.89 ALOX15 (0.44) SLC29A1ALOX15
SCHEMBL9801186 0.89 SLC29A1 (0.41) KEAP1SMN1; SMN2SLC29A1SIGMAR1CYP2D6
SCHEMBL9801739 0.88 SLC29A1 (0.36) KEAP1SMN1; SMN2SLC29A1SIGMAR1CYP2D6
SCHEMBL9801478 0.87 KEAP1 (0.38) KEAP1SMN1; SMN2SLC29A1SIGMAR1CYP2D6
SCHEMBL9801204 0.82 SLC29A1 (0.37) SLC29A1
SCHEMBL9801595 0.81 SLC29A1 (0.40) KEAP1SMN1; SMN2SLC29A1SIGMAR1CYP2D6
SCHEMBL7902209 0.81 HTR1A (0.33) SLC29A1SIGMAR1
SCHEMBL9802131 0.80 KEAP1 (0.33) KEAP1SMN1; SMN2SLC29A1SIGMAR1CYP2D6
SCHEMBL9801943 0.79 KEAP1 (0.41) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9800998 0.79 SLC29A1 (0.38) KEAP1SMN1; SMN2SLC29A1ALOX15

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