SCHEMBL8105924

SCHEMBL8105924

CCN(CC)C(=O)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MDM2 Q00987 1/20 0.37
APP P05067 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR7 P34969 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
SCHEMBL8105928 0.89 MEN1 (0.39) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8789671 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL8090603 0.84 LMNA (0.43) ALDH1A1LMNAHTTNPSR1POLB
SCHEMBL8792368 0.82 MEN1 (0.40) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8090122 0.82 MEN1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8097543 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL2053916 0.80 MEN1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8104045 0.80 NPSR1 (0.46) SMN1; SMN2LMNANPSR1POLBHSD17B10
SCHEMBL8099403 0.78 MEN1 (0.38) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8099315 0.78 NOTUM (0.40) ALDH1A1LMNAHTTPOLBALOX15

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