SCHEMBL16180993

SCHEMBL16180993

CCc1ccc(Oc2ncc(C(C)(F)F)cc2C(F)(F)F)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL10195469 0.95 SCN9A (0.35) SCN9ASCN10A
SCHEMBL16180995 0.91 RAB9A (0.38)
SCHEMBL10195467 0.90 LIPE (0.33) SCN9ASCN10A
SCHEMBL16180994 0.88 SMN1; SMN2 (0.34)
SCHEMBL10195473 0.87 SCN9A (0.36) SCN9ASCN10A
SCHEMBL10195472 0.87 RAB9A (0.43)
SCHEMBL10195465 0.84 SCN9A (0.47) SCN9ASCN10A
SCHEMBL10195505 0.83 LMNA (0.35) SCN9A
SCHEMBL16351658 0.83
SCHEMBL10195479 0.81 PLA2G7 (0.32)

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-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed