SCHEMBL8104045

SCHEMBL8104045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ACACB O00763 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5 P09917 1/20 0.38
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8099299 0.89 USP2 (0.36) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8107067 0.89 ACACB (0.47) NPSR1ACACBHSD17B10SMN1; SMN2LMNA
SCHEMBL8099572 0.89 ACACB (0.47) NPSR1ACACBHSD17B10SMN1; SMN2LMNA
SCHEMBL8106095 0.89 NPSR1 (0.42) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8090122 0.89 MEN1 (0.39) SMN1; SMN2LMNANPC1TP53MAPT
SCHEMBL8098709 0.87 TRPM8 (0.39) NPSR1
SCHEMBL8090426 0.87 LMNA (0.40) ACACBHSD17B10SMN1; SMN2LMNATP53
SCHEMBL2053916 0.87 MEN1 (0.38) ACACBHSD17B10SMN1; SMN2LMNANPC1
SCHEMBL8090603 0.86 LMNA (0.43) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8106103 0.85 LMNA (0.48) SMN1; SMN2LMNANPC1MAPTRAB9A

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