SCHEMBL9064116

SCHEMBL9064116

CCC1CN(c2cccc(C(F)(F)F)c2)C(=NC(=O)OC(C)(C)C)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
RORC P51449 3/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ACACB O00763 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.35
USP2 O75604 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL9369859 0.87 ACACB (0.40) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL8424561 0.84 NOTUM (0.39) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL8424304 0.84 NOTUM (0.39) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL9246844 0.83 ACACB (0.39) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL8423932 0.83 ACACB (0.39) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL8424061 0.82 NOTUM (0.38) NOTUMPOLBALDH1A1HSD17B10ACACB
SCHEMBL9369914 0.82 CNR2 (0.40) NOTUMPOLBSMN1; SMN2CNR2
SCHEMBL9064489 0.82 ALDH1A1 (0.43) NOTUMPOLBALDH1A1HSD17B10HSP90AA1
SCHEMBL9064493 0.82 ALDH1A1 (0.43) NOTUMPOLBALDH1A1HSD17B10HSP90AA1
SCHEMBL9369347 0.82 ACACB (0.42) NOTUMPOLBALDH1A1HSD17B10ACACB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508415-A HAVING STRONG HERBICIDAL POTENCY, NOTICEABLE SELECTIVITY BETWEEN CROP PLANTS AND WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
US-5426188-A Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-20 US disclosed
EP-0446802-B1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1995-06-07 EP disclosed
US-5244863-A Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-14 US disclosed
EP-0446802-A1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed