SCHEMBL8097543

SCHEMBL8097543

CCC(C)(C)NC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2053916 0.90 MEN1 (0.38) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8099315 0.87 NOTUM (0.40) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8090603 0.87 LMNA (0.43) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8090122 0.86 MEN1 (0.39) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8103239 0.86 MEN1 (0.35) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8105021 0.86 ELANE (0.41) MEN1KMT2A
SCHEMBL8097661 0.86 ANO1 (0.38) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8105435 0.86 RAB9A (0.37) ALDH1A1LMNAUSP2MAPK1HTT
SCHEMBL8104045 0.83 NPSR1 (0.46) LMNAPOLBHSD17B10MEN1KMT2A
SCHEMBL9267528 0.83 MAPT (0.38) ALDH1A1PPARGPPARDPPARAKCNH2

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