SCHEMBL8107067

SCHEMBL8107067

C[C@@H](NC(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR139 Q6DWJ6 2/20 0.43
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8099572 1.00 ACACB (0.47) ACACBATML3MBTL1GPR139LIPG
SCHEMBL8090426 0.91 LMNA (0.40) ACACBMEN1KMT2AALDH1A1TP53
SCHEMBL8104045 0.89 NPSR1 (0.46) ACACBMEN1KMT2ATP53HSD17B10
SCHEMBL8090122 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL8099315 0.84 NOTUM (0.40) MEN1KMT2AALDH1A1TP53HSD17B10
SCHEMBL8098502 0.84 LMNA (0.48) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL2053916 0.82 MEN1 (0.38) ACACBMEN1KMT2AALDH1A1TP53
SCHEMBL8090603 0.82 LMNA (0.43) ACACBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8097554 0.81 POLB (0.49) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8106095 0.81 NPSR1 (0.42) ACACBTP53HSD17B10LMNAHTT

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