SCHEMBL8098995

SCHEMBL8098995

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ACKR3 P25106 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8090458 0.87 NPSR1 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL8103747 0.79 MCHR1 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL8089010 0.78 TSHR (0.41) CA12CA1CA2CA9MEN1
SCHEMBL2053916 0.78 MEN1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL8099260 0.77 MEN1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL8096830 0.77 MCHR1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL8096549 0.76 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL8090258 0.76 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL8702280 0.74 NOTUM (0.42) CA12CA1CA2CA9TP53
SCHEMBL8097766 0.73 CYP1A2 (0.38) MEN1KMT2AMAPTSMN1; SMN2NOTUM

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed