SCHEMBL8097010

SCHEMBL8097010

CC(=O)c1cccc(C2NC(=O)C(OC(=O)NC(C)(C)C)S2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.33
LMNA P02545 5/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
DRD3 P35462 1/20 0.30

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
SCHEMBL8099202 0.87 L3MBTL1 (0.38) HPGDALDH1A1MAPTTSHRLMNA
SCHEMBL8099152 0.86 ALDH1A1 (0.38) HPGDALDH1A1MAPTTSHRLMNA
SCHEMBL8098463 0.86 ALDH1A1 (0.38) HPGDALDH1A1MAPTTSHR
SCHEMBL8096918 0.86 ALDH1A1 (0.38) HPGDALDH1A1MAPTTSHRKDM1A
SCHEMBL8098673 0.86 ALDH1A1 (0.54) HPGDALDH1A1MAPTTSHRKMT2A
SCHEMBL8097385 0.86 ALDH1A1 (0.38) HPGDALDH1A1MAPTTSHR
SCHEMBL8099480 0.85 ALDH1A1 (0.33) HPGDALDH1A1MAPTTSHRKDM1A
SCHEMBL8097455 0.85 ALDH1A1 (0.40) HPGDALDH1A1MAPTTSHRKMT2A
SCHEMBL8090064 0.84 GUSB (0.43) HPGDALDH1A1MAPTTSHRLMNA
SCHEMBL8097587 0.83 ALDH1A1 (0.39) HPGDALDH1A1MAPTTSHRLMNA

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