SCHEMBL8090458

SCHEMBL8090458

CC(C)NC(=O)OC1C(=O)N(c2cccc(C(F)(F)F)c2)C[S+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ACACB O00763 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL8098995 0.87 CA12 (0.38) SMN1; SMN2NPC1TP53MAPTTSHR
SCHEMBL8089857 0.80 NPSR1 (0.47) NPSR1ACACBHSD17B10SMN1; SMN2LMNA
SCHEMBL8104045 0.78 NPSR1 (0.46) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8090292 0.77 NPSR1 (0.45) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8106095 0.69 NPSR1 (0.42) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8090624 0.69 NPSR1 (0.45) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL8107067 0.69 ACACB (0.47) NPSR1ACACBHSD17B10SMN1; SMN2LMNA
SCHEMBL8099572 0.69 ACACB (0.47) NPSR1ACACBHSD17B10SMN1; SMN2LMNA
SCHEMBL8099299 0.67 USP2 (0.36) NPSR1ACACBHSD17B10CYP1A2CYP2C19
SCHEMBL9263773 0.67 ACACB (0.40) NPSR1ACACBHSD17B10SMN1; SMN2LMNA

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