SCHEMBL8103239

SCHEMBL8103239

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 4/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 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
SCHEMBL8105021 0.91 ELANE (0.41) MEN1KMT2AELANE
SCHEMBL8097661 0.91 ANO1 (0.38) MEN1KMT2APPARGPPARDPPARA
SCHEMBL2053916 0.89 MEN1 (0.38) MEN1KMT2AACACBPPARGPPARD
SCHEMBL8099315 0.89 NOTUM (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL8097543 0.86 ALDH1A1 (0.39) MEN1KMT2APPARGPPARDPPARA
SCHEMBL8090122 0.85 MEN1 (0.39) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL8105435 0.85 RAB9A (0.37) MEN1KMT2APPARGPPARDPPARA
SCHEMBL8103674 0.83 MCHR1 (0.45) ACACBLMNATSHRHSD17B10TP53
SCHEMBL8098502 0.82 LMNA (0.48) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL8104045 0.82 NPSR1 (0.46) MEN1KMT2AACACBLMNATSHR

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