SCHEMBL9109867

SCHEMBL9109867

CCCCCCCCCCCCCCCCCCSC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PTGS2 P35354 3/20 0.40
NAAA Q02083 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL9098590 1.00 KIF11 (0.42) KIF11CES2CES1PTGS2NAAA
SCHEMBL9109315 1.00 KIF11 (0.42) KIF11CES2CES1PTGS2NAAA
SCHEMBL30904653 0.80 CYP2C19 (0.46) KIF11ALDH1A1MAPTCYP2C19HIF1A
SCHEMBL7803576 0.79 KIF11 (0.43) KIF11CES2CES1PTGS2CYSLTR2
SCHEMBL11705896 0.78 KIF11 (0.37) KIF11PTGS2
SCHEMBL11295432 0.78 KIF11 (0.37) KIF11PTGS2
SCHEMBL11615917 0.78 KIF11 (0.37) KIF11PTGS2
SCHEMBL8859395 0.77 GMNN (0.45) CES2CES1PTGS2ALDH1A1GMNN
Hydrochloric Acid SCHEMBL8885976 0.77 KIF11 (0.41) KIF11PTGS2ALDH1A1NPSR1MAPT
SCHEMBL26224 0.76 KIF11 (0.55) KIF11

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-8501312-B2 Charging member CANON KABUSHIKI KAISHA (JP) 2013-08-06 US disclosed
US-20120141161-A1 CHARGING MEMBER CANON KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed