SCHEMBL28284152

SCHEMBL28284152

CCCCCCCC[SH](CCCCCCCC)c1ncnc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 2/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
ACAT1 P24752 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
SCHEMBL29871074 1.00 ALDH1A1 (0.32) ALDH1A1GAATDP1PTGS1NR5A2
Octane SCHEMBL7523713 0.81 NR5A2 (0.35) ALDH1A1GAATDP1PTGS1NR5A2
SCHEMBL28932206 0.81 GAA (0.34) ALDH1A1GAATDP1PTGS1NR5A2
SCHEMBL996080 0.78 PTGS1 (0.35) ALDH1A1GAAPTGS1
SCHEMBL6131350 0.78 ALDH1A1 (0.46) ALDH1A1GAATDP1PTGS1
SCHEMBL28626209 0.76 PTGS2 (0.35) ALDH1A1GAATDP1NR5A2NR5A1
SCHEMBL27958082 0.76 NPR3 (0.34) ALDH1A1GAATDP1PTGS1NR5A2
Octane SCHEMBL38966 0.73 ALDH1A1 (0.38) ALDH1A1GAATDP1PTGS1NR5A2
SCHEMBL11257810 0.72 ALDH1A1 (0.37) ALDH1A1GAATDP1PTGS1NR5A2
SCHEMBL299853 0.72 ALDH1A1 (0.37) ALDH1A1GAATDP1PTGS1NR5A2

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
CN-106459807-B Use of a lubricant composition for lubricating a dual clutch transmission 大众汽车有限公司 2019-04-09 CN disclosed