SCHEMBL27834591

SCHEMBL27834591

O=C(O)CC(=O)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.54
MAPK14 Q16539 1/20 0.53
FFAR1 O14842 1/20 0.51
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
CETP P11597 5/20 0.49
CNR1 P21554 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
GLS O94925 1/20 0.45

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
SCHEMBL28475012 0.89 VNN1 (0.56) VNN1MAPK14FFAR1KDM5AKDM4C
SCHEMBL761677 0.88 MAPK14 (0.54) VNN1MAPK14FFAR1KDM5AKDM4C
Hydrochloric Acid SCHEMBL2525556 0.86 MAPK14 (0.53) VNN1MAPK14FFAR1KDM5AKDM4C
SCHEMBL4660552 0.85 VNN1 (0.54) VNN1MAPK14FFAR1KDM5AKDM4C
SCHEMBL12731532 0.84 VNN1 (0.52) VNN1MAPK14FFAR1KDM5AKDM4C
SCHEMBL378549 0.81 VNN1 (0.52) VNN1MAPK14KDM5AKDM4CKDM5B
SCHEMBL21981021 0.81 AOC2 (0.51) VNN1MAPK14CNR1ROCK2ROCK1
SCHEMBL11546048 0.80 CHRM2 (0.51) VNN1MAPK14KDM5AKDM4CKDM5B
SCHEMBL6685564 0.80 EPHX1 (0.52) VNN1MAPK14KDM5AKDM4CKDM5B
SCHEMBL1792094 0.80 CNR1 (0.50) VNN1MAPK14FFAR1KDM5AKDM4C

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-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 CN disclosed