SCHEMBL8096830

SCHEMBL8096830

CC(C)(C)NC(=O)OC1CCCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.41
CCR2 P41597 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
FPR2 P25090 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8103747 0.95 MCHR1 (0.48) MCHR1CA12CA1CA2CA9
SCHEMBL8103674 0.84 MCHR1 (0.45) MCHR1CA12CA1CA2CA9
SCHEMBL8702280 0.83 NOTUM (0.42) MCHR1CA12CA1CA2CA9
SCHEMBL8089857 0.83 NPSR1 (0.47) MCHR1CA12CA1CA2CA9
SCHEMBL8106051 0.83 NOTUM (0.38) MCHR1POLBALDH1A1ALOX15HSD17B10
SCHEMBL8096814 0.82 CA12 (0.47) MCHR1CA12CA1CA2CA9
SCHEMBL8096549 0.81 CA12 (0.40) MCHR1CA12CA1CA2CA9
SCHEMBL8090258 0.81 CA12 (0.40) MCHR1CA12CA1CA2CA9
SCHEMBL7613749 0.81 MCHR1 (0.50) MCHR1CA12CA1CA2CA9
SCHEMBL8097766 0.80 CYP1A2 (0.38) POLBALDH1A1HSD17B10NOTUMCCR2

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