SCHEMBL8105439

SCHEMBL8105439

COC(=O)c1cccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
RAB9A P51151 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
HPGD P15428 3/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8097004 0.91 LMNA (0.44) GAAALDH1A1LMNARAB9AMAPT
SCHEMBL8105978 0.87 TP53 (0.42) ALDH1A1LMNAMAPK1TP53MAPT
SCHEMBL8098460 0.86 NTMT1 (0.35) GRM2ALDH1A1TP53MAPTALOX15
SCHEMBL8098702 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1RAB9AHPGDALOX15
SCHEMBL8102959 0.86 SMN1; SMN2 (0.38) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL8097382 0.85 FAAH (0.32) ALDH1A1MPITP53
SCHEMBL8096915 0.85 ALDH1A1 (0.38) ALDH1A1LMNARAB9AL3MBTL1ATM
SCHEMBL8099147 0.85 POLB (0.41) ALDH1A1LMNARAB9ATP53L3MBTL1
SCHEMBL8103588 0.84 NOTUM (0.40) OPRL1
SCHEMBL8099477 0.84 SMN1; SMN2 (0.40) GAAGRM2ALDH1A1LMNAMAPT

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