SCHEMBL8535343

SCHEMBL8535343

CCCCC(CC)CC(CN)(CC(CC)CCCC)n1nnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 6/20 0.43
SLC9A1 P19634 7/20 0.43
ASAH1 Q13510 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KEAP1 Q14145 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL502087 0.85 CYP4Z1 (0.45) CYP4Z1SLC9A1ASAH1ALDH1A1GAA
SCHEMBL22529629 0.82 CYP4Z1 (0.40) CYP4Z1SLC9A1ASAH1ALDH1A1GAA
SCHEMBL10756591 0.81 CYP4Z1 (0.41) CYP4Z1SLC9A1ASAH1ALDH1A1GAA
SCHEMBL10756584 0.76 SLC9A1 (0.52) CYP4Z1SLC9A1MAPTTDP1
SCHEMBL31702792 0.73 SLC9A1 (0.61) CYP4Z1SLC9A1ALDH1A1MAPTTDP1
SCHEMBL22772152 0.72 SLC9A1 (0.68) CYP4Z1SLC9A1MAPT
SCHEMBL3931116 0.72 CYP4Z1 (0.46) CYP4Z1SLC9A1ASAH1ALDH1A1GAA
SCHEMBL30545219 0.72 CYP4Z1 (0.46) CYP4Z1SLC9A1ASAH1ALDH1A1GAA
SCHEMBL30882113 0.70 CYP4Z1 (0.68) CYP4Z1SLC9A1ASAH1ALDH1A1KDM4E
SCHEMBL28514158 0.70 CYP4Z1 (0.68) CYP4Z1SLC9A1ASAH1ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726135-A FATTY ESTER MIXTURE WITH DITHIOCARBAMATE; WEAR AND FRICTION RESISTANCE; NONTOXIC RACIK, DONNA INDIVIDUALLY 1998-03-10 US disclosed
US-4701273-A Lubricant compositions containing antioxidants, amine phosphates and 4- (5-) methyl-1-[di-(2-ethylhexyl) aminomethyl]-benzotriazole CIBA-GEIGY CORPORATION (US) 1987-10-20 US disclosed