SCHEMBL2393058

SCHEMBL2393058

CC(C)([SH2+])C(=O)c1ccc2ccccc2c1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GABBR2 O75899 4/20 0.41
GABBR1 Q9UBS5 4/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
KAT6A Q92794 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
TP53 P04637 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
SCHEMBL3222643 0.78 PTPN1 (0.50) CES2CES1HSD17B14NPC1RAB9A
SCHEMBL3221672 0.75 SMN1; SMN2 (0.47) CES2CES1HSD17B14NPC1RAB9A
SCHEMBL855617 0.72 CES2 (0.61) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL29772071 0.71 CES2 (0.59) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL15120380 0.71 CES2 (0.59) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL3957744 0.71 CES2 (0.59) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL761473 0.71 CES2 (0.59) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL758629 0.70 CES2 (0.57) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL15385170 0.70 CES2 (0.57) CES2CES1GABBR2GABBR1GABRB1
SCHEMBL4307207 0.69 CES1 (0.61) CES2CES1GABBR2GABBR1HSD17B14

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-8021825-B2 Optical waveguides and methods thereof SUMITOMO BAKELITE CO., LTD. (JP) 2011-09-20 US disclosed