SCHEMBL7283182

SCHEMBL7283182

CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
PPARG P37231 3/20 0.46
MMP8 P22894 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MME P08473 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 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
SCHEMBL7276696 0.90 ALDH1A1 (0.44) KMT2AL3MBTL1CYP1A2PPARAALDH1A1
SCHEMBL7282625 0.90 EPHX2 (0.47) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7324725 0.87 EPHX2 (0.49) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL9800576 0.81 EPHX2 (0.50) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL9800573 0.81 EPHX2 (0.50) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7141356 0.81 EPHX2 (0.51) EPHX2PPARGMMP8MEN1NPC1
Hydrochloric Acid SCHEMBL7420885 0.80 EPHX2 (0.50) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7332824 0.80 PPARG (0.52) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL7385299 0.80 ALDH1A1 (0.43) KMT2AL3MBTL1CYP1A2PPARAALDH1A1
SCHEMBL9261571 0.79 SMN1; SMN2 (0.44) EPHX2PPARGMMP8MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 EP disclosed