SCHEMBL8103588

SCHEMBL8103588

CC(C)(C)NC(=O)OC1SCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MCHR1 Q99705 1/20 0.38
CSNK1E P49674 3/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
KCNH2 Q12809 3/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
CCKBR P32239 1/20 0.36
OPRL1 P41146 1/20 0.36
CSNK1D P48730 1/20 0.36
METAP2 P50579 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
GCGR P47871 1/20 0.36
TOP2A P11388 1/20 0.36
ACACB O00763 1/20 0.35
KCNN4 O15554 1/20 0.35
CHRM4 P08173 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
SCHEMBL8098677 0.91 MAPT (0.38) NOTUMCSNK1ECCKBR
SCHEMBL8105978 0.89 TP53 (0.42)
SCHEMBL8097583 0.87 NPC1 (0.37) CSNK1E
SCHEMBL2053916 0.87 MEN1 (0.38) NOTUMACACB
SCHEMBL8099147 0.86 POLB (0.41)
SCHEMBL8098460 0.85 NTMT1 (0.35) CSNK1ECSNK1D
SCHEMBL8102959 0.85 SMN1; SMN2 (0.38) NOTUM
SCHEMBL8098702 0.85 ALDH1A1 (0.38)
SCHEMBL8105439 0.84 GAA (0.47) OPRL1
SCHEMBL8097382 0.84 FAAH (0.32) DRD2DRD3KCNH2

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