SCHEMBL11008232

SCHEMBL11008232

CC(=O)COc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 6/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TRPM8 Q7Z2W7 3/20 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
SCHEMBL707494 0.82 KDM4E (0.44) KMT2AELANEGAARAB9ASMN1; SMN2
SCHEMBL341114 0.82 ALOX15 (0.50) KMT2ASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL8814468 0.81 KMT2A (0.51) KMT2AELANEGAARAB9ASMN1; SMN2
SCHEMBL724289 0.81 GSK3B (0.40) KMT2AELANEGAARAB9ANPC1
Potassium Ion SCHEMBL11800653 0.79 HPGD (0.37) KMT2AELANEGAARAB9ANPC1
SCHEMBL891160 0.79 MMP1 (0.44) KMT2AELANEGAARAB9AMAPT
SCHEMBL4391726 0.79 GAA (0.46) KMT2AGAASMN1; SMN2MAPTALDH1A1
Acetone SCHEMBL11642698 0.78 KMT2A (0.44) KMT2ARAB9ASMN1; SMN2MAPTNPC1
Ethyl Acetate SCHEMBL28207231 0.75 ALDH1A1 (0.47) KMT2AGAARAB9ASMN1; SMN2MAPT
SCHEMBL5759533 0.75 L3MBTL1 (0.39) KMT2AELANEGAARAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514211-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
EP-0079683-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-25 EP disclosed