SCHEMBL6509317

SCHEMBL6509317

Cc1csc(CN(CCC(=O)O)Cc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.47
FFAR1 O14842 1/20 0.43
NR3C1 P04150 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
MAPK14 Q16539 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
VNN1 O95497 1/20 0.40
PTGER1 P34995 1/20 0.39
FEN1 P39748 1/20 0.39
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 1/20 0.39
MEP1B Q16820 1/20 0.39
CTSA P10619 1/20 0.39
CALM1 P0DP23 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL6508226 0.87 CETP (0.52) CETPFFAR1NR3C1TRPM8MAPK14
SCHEMBL6511901 0.86 TSHR (0.49) FFAR1NR3C1FFAR4
SCHEMBL6510094 0.81 PPARG (0.39) FFAR1MEP1B
SCHEMBL6533389 0.81 MAPT (0.41) CETPFFAR1FFAR4MEP1BCALM1
SCHEMBL6512010 0.81 LTB4R (0.42) FFAR1MEP1B
SCHEMBL6510769 0.81 PTGES (0.38) FFAR1TRPM8MEP1B
SCHEMBL6512333 0.80 SLC2A1 (0.45) CETPFFAR1FFAR4KDM5AKDM4C
SCHEMBL6508460 0.79 HTR2C (0.36) FFAR1MEP1B
SCHEMBL6511525 0.78 LTB4R (0.40) FFAR1MEP1B
SCHEMBL6511514 0.77 OPRM1 (0.37) FFAR1MEP1B

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed