SCHEMBL8098709

SCHEMBL8098709

CC(C)NC(=O)OC1SCN(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
FPR2 P25090 11/20 0.37
FPR1 P21462 8/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL8099299 0.89 USP2 (0.36) TRPM8NPSR1
SCHEMBL8104045 0.87 NPSR1 (0.46) NPSR1
SCHEMBL8096910 0.85 CASP3 (0.37)
SCHEMBL8105900 0.84 AR (0.41)
SCHEMBL8090439 0.80 CYP1A2 (0.53)
SCHEMBL8099351 0.79 RECQL (0.38)
SCHEMBL8107067 0.77 ACACB (0.47) NPSR1
SCHEMBL8099572 0.77 ACACB (0.47) NPSR1
SCHEMBL8106095 0.76 NPSR1 (0.42) NPSR1
SCHEMBL8090122 0.75 MEN1 (0.39)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed