SCHEMBL8097540

SCHEMBL8097540

CC(C)(C)NC(=O)OC1SCN(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MT-CO2 P00403 1/20 0.34
ALOX5 P09917 1/20 0.34
RIPK1 Q13546 1/20 0.34
CASP3 P42574 2/20 0.34
GAA P10253 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8097583 0.89 NPC1 (0.37) ALDH1A1MAPTALOX5NPC1TP53
SCHEMBL8097595 0.89 KMT2A (0.37) ALDH1A1SMN1; SMN2CASP3TSHR
SCHEMBL8105911 0.88 KMT2A (0.35) POLBALDH1A1MAPTSMN1; SMN2CASP3
SCHEMBL8102959 0.87 SMN1; SMN2 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8098702 0.87 ALDH1A1 (0.38) ALDH1A1HPGDCASP3HDAC8HDAC6
SCHEMBL8098460 0.87 NTMT1 (0.35) ALDH1A1MAPTTP53
SCHEMBL8097453 0.87 LMNA (0.41) POLBALDH1A1MAPTSMN1; SMN2CASP3
SCHEMBL8099147 0.86 POLB (0.41) POLBALDH1A1MAPTNPC1TP53
SCHEMBL8105978 0.86 TP53 (0.42) POLBALDH1A1MAPTTP53NPSR1
SCHEMBL8097382 0.86 FAAH (0.32) ALDH1A1TP53

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