SCHEMBL6154318

SCHEMBL6154318

CC(=O)OCC(COS(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 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
SCHEMBL6153593 1.00 ALDH1A1 (0.46) ALDH1A1MMP8MEN1KMT2AALPI
SCHEMBL6154154 1.00 ALDH1A1 (0.46) ALDH1A1MMP8MEN1KMT2AALPI
SCHEMBL6154419 0.88 ALDH1A1 (0.58) ALDH1A1MMP8ALPIPKMPTGS1
SCHEMBL6153821 0.86 MME (0.39) ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6153824 0.82 TRPA1 (0.43) ALDH1A1MMP8MEN1KMT2ACYP1A2
SCHEMBL6154333 0.82 TRPA1 (0.43) ALDH1A1MMP8MEN1KMT2ACYP1A2
SCHEMBL6425521 0.82 TRPA1 (0.43) ALDH1A1MMP8MEN1KMT2ACYP1A2
SCHEMBL6155810 0.82 GAA (0.44) ALDH1A1KMT2ACA2CA7POLB
SCHEMBL6155033 0.80 ALDH1A1 (0.53) ALDH1A1MMP8ALPIPKMPTGS1
SCHEMBL6154390 0.80 ALDH1A1 (0.53) ALDH1A1MMP8ALPIPKMPTGS1

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 4 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
EP-0916654-A1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORPORATION (JP) 1999-05-19 EP disclosed