SCHEMBL7596100

SCHEMBL7596100

O=C(O)CNC(=O)CC(CS)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.56
ACE P12821 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
ECE1 P42892 1/20 0.51
BLM P54132 1/20 0.51
NPEPPS P55786 1/20 0.51
KMT2A Q03164 1/20 0.51
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL10662935 0.81 HPGD (0.58) MMEHPGDMEN1KMT2A
SCHEMBL4177024 0.81 GABBR2 (0.66) ALDH1A1MAPTMEN1BLMKMT2A
SCHEMBL7278612 0.79 HDAC3 (0.59) ALDH1A1HPGDKDM4ERECQL
SCHEMBL7590758 0.78 MAPT (0.46) MMEACEMAPTHPGDMEN1
SCHEMBL11029825 0.77 ALDH1A1 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11030201 0.76 POLB (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7401437 0.74 CYP1A2 (0.55) ALDH1A1MAPK1GABBR2GABBR1
SCHEMBL11032051 0.74 SMN1; SMN2 (0.74) ALDH1A1MAPTHPGDKMT2ARECQL
SCHEMBL7402116 0.73 HTT (0.45) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL7414103 0.72 MME (1.00) MMEACEALDH1A1MAPTHPGD

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-20020028248-A1 RAPID-RELEASE MICRODISPERSIBLE ECADOTRIL PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
EP-0914822-A1 RAPID-RELEASE MICRODISPERSIBLE ECADOTRIL PREPARATION Bayer Aktiengesellschaft (DE) 1999-05-12 EP disclosed