SCHEMBL16319358

SCHEMBL16319358

CC(C)(C)OC(=O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
PLA2G7 Q13093 6/20 0.40
EPHX2 P34913 2/20 0.40
ESRRA P11474 1/20 0.38
RAF1 P04049 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KDR P35968 1/20 0.38
HDAC3 O15379 1/20 0.38
ARAF P10398 1/20 0.38
BRAF P15056 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL16319441 0.84 SCN9A (0.51) SCN9APPARGPPARAPLA2G7KDR
SCHEMBL30261504 0.84 SCN9A (0.63) SCN9A
SCHEMBL371128 0.84 SCN9A (0.63) SCN9A
SCHEMBL16319521 0.83 SCN9A (0.49) SCN9APPARGPPARAPLA2G7EPHX2
SCHEMBL16319584 0.79 SCN9A (0.60) SCN9APLA2G7
SCHEMBL16319579 0.78 SCN9A (0.45) SCN9APPARGPPARAPLA2G7EPHX2
SCHEMBL16319516 0.76 SCN9A (0.48) SCN9APLA2G7RAF1LMNAMAPT
SCHEMBL365318 0.76 SCN9A (0.50) SCN9APPARGPPARAPLA2G7KDR
SCHEMBL16319799 0.75 SCN9A (0.48) SCN9AKDR
SCHEMBL15599210 0.73 SCN9A (0.65) SCN9A

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed