SCHEMBL8105237

SCHEMBL8105237

CC(C)(C)NC(=O)OC1SCN(c2cccc(S(C)(=O)=O)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.41
GPR119 Q8TDV5 1/20 0.40
NR1H3 Q13133 14/20 0.40
NAAA Q02083 1/20 0.39
GRM2 Q14416 1/20 0.36
ACKR3 P25106 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
SCHEMBL8103646 0.85
SCHEMBL8098460 0.85 NTMT1 (0.35) GRM2
SCHEMBL8102959 0.85 SMN1; SMN2 (0.38) GPR119
SCHEMBL8098702 0.85 ALDH1A1 (0.38)
SCHEMBL8097382 0.84 FAAH (0.32)
SCHEMBL8099147 0.84 POLB (0.41)
SCHEMBL8105978 0.84 TP53 (0.42)
SCHEMBL8096915 0.84 ALDH1A1 (0.38)
SCHEMBL8097540 0.84 POLB (0.36)
SCHEMBL8097004 0.83 LMNA (0.44)

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