SCHEMBL6155501

SCHEMBL6155501

CS(=O)(=O)OC[C@@H](Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PPARG P37231 10/20 0.47
EPHX2 P34913 1/20 0.47
PPARA Q07869 9/20 0.47
MME P08473 1/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL8446169 1.00 KMT2A (0.47) KMT2APPARGEPHX2PPARAMME
SCHEMBL6154118 0.86 CYP1A2 (0.59) MMECYP1A2
SCHEMBL6154367 0.86 CYP1A2 (0.59) MMECYP1A2
SCHEMBL6427020 0.86 CYP1A2 (0.59) MMECYP1A2
SCHEMBL4663230 0.79 CYP1A2 (0.65) KMT2APPARGEPHX2PPARACYP1A2
SCHEMBL6154294 0.78 MME (0.41) KMT2APPARGPPARAMMEMEN1
SCHEMBL22800347 0.77 KMT2A (0.50) KMT2APPARGEPHX2PPARACYP1A2
SCHEMBL22800348 0.77 KMT2A (0.50) KMT2APPARGEPHX2PPARACYP1A2
SCHEMBL6153821 0.76 MME (0.39) KMT2APPARGEPHX2PPARAMME
SCHEMBL7713441 0.76 PPARG (0.71) KMT2APPARGEPHX2PPARACYP1A2

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-0916654-B1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORP (JP) 2005-02-23 EP disclosed
US-6410773-B1 OPTICAL ACTIVE MATERIAL; ENKEPHALINASE INHIBITORS; HYPOTENSIVE AGENTS KANEKA CORPORATION (JP) 2002-06-25 US disclosed
US-6121477-A Sulfonic ester derivatives, process for preparing the same, and use thereof KANEKA CORPORATION (JP) 2000-09-19 US disclosed