SCHEMBL8096549

SCHEMBL8096549

CC(C)(C)NC(=O)OC1SCCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NOTUM Q6P988 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MCHR1 Q99705 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
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

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) CA12CA1CA2CA9NOTUM
SCHEMBL8103747 0.83 MCHR1 (0.48) CA12CA1CA2CA9NOTUM
SCHEMBL8099315 0.81 NOTUM (0.40) NOTUMPOLBLMNAALDH1A1USP2
SCHEMBL8096830 0.81 MCHR1 (0.44) CA12CA1CA2CA9NOTUM
SCHEMBL8097543 0.80 ALDH1A1 (0.39) CA12CA1CA2CA9POLB
SCHEMBL8090258 0.80 CA12 (0.40) CA12CA1CA2CA9NOTUM
SCHEMBL8097661 0.80 ANO1 (0.38) NOTUMPOLBLMNAALDH1A1USP2
SCHEMBL8105435 0.80 RAB9A (0.37) CA12CA1CA2CA9NOTUM
SCHEMBL8105021 0.80 ELANE (0.41) MEN1KMT2A
SCHEMBL8103239 0.80 MEN1 (0.35) CA12CA1CA2CA9NOTUM

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