SCHEMBL8097766

SCHEMBL8097766

CC(C)(C)NC(=O)OC1CON(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.37
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CCR2 P41597 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ACACB O00763 1/20 0.36
THRB P10828 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL8106051 0.90 NOTUM (0.38) CYP1A2MAPTNOTUMKMT2APOLB
SCHEMBL8103747 0.83 MCHR1 (0.48) MAPTNOTUMPOLBALDH1A1HSD17B10
SCHEMBL8096830 0.80 MCHR1 (0.44) MAPTNOTUMPOLBALDH1A1HSD17B10
SCHEMBL8097769 0.79 TP53 (0.37) GAA
SCHEMBL8089010 0.77 TSHR (0.41) MAPTNOTUMKMT2APOLBALDH1A1
SCHEMBL8702280 0.76 NOTUM (0.42) MAPTNOTUMPOLBALDH1A1HSD17B10
SCHEMBL8090258 0.76 CA12 (0.40) MAPTNOTUMKMT2APOLBALDH1A1
SCHEMBL2053916 0.75 MEN1 (0.38) MAPTNOTUMKMT2APOLBALDH1A1
SCHEMBL8098684 0.75 NOTUM (0.43) MAPTNOTUMKMT2APOLBALDH1A1
SCHEMBL8099260 0.74 MEN1 (0.38) MAPTNOTUMKMT2APOLBALDH1A1

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