SCHEMBL9800573

SCHEMBL9800573

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.50
PPARG P37231 6/20 0.50
MMP8 P22894 2/20 0.46
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
PPID Q08752 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MME P08473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9800576 1.00 EPHX2 (0.50) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7324725 0.86 EPHX2 (0.49) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7282625 0.84 EPHX2 (0.47) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7283182 0.81 EPHX2 (0.46) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7332824 0.79 PPARG (0.52) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7562347 0.78 HK1 (0.39) EPHX2PPARGMMP8POLB
SCHEMBL7141356 0.78 EPHX2 (0.51) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7436917 0.78 PPARG (0.51) EPHX2PPARGMMP8PPARAMEN1
SCHEMBL7486719 0.78 CYP1A2 (0.42) PPARAKMT2APOLBALDH1A1
SCHEMBL10521821 0.77 MMP8 (0.61) EPHX2PPARGMMP8PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed