SCHEMBL5159743

SCHEMBL5159743

CS(=O)(=O)OCC(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AOC3 Q16853 5/20 0.42
RIPK1 Q13546 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2542325 1.00 LMNA (0.48) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL2541606 1.00 LMNA (0.48) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL7039011 0.87 SRD5A2 (0.45) LMNA
SCHEMBL14646436 0.84 ALDH1A1 (0.40) LMNAKDM4EALDH1A1
SCHEMBL15987299 0.83 LMNA (0.45) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL7516303 0.82 CA12 (0.46) CYP1A2CYP2D6
SCHEMBL2541787 0.82 AOC3 (0.45) LMNAKDM4EAOC3
SCHEMBL974206 0.82 RIPK1 (0.47) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL5157831 0.82 AOC3 (0.45) LMNAKDM4EAOC3
SCHEMBL5303572 0.82 RIPK1 (0.47) LMNAKDM4EL3MBTL1AOC3RIPK1

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-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed
CN-1264707-A Process for preparing chiral phosphine-borane complex and its application in synthesizing amino acid ZHANG SHENGYONG (CN) 2000-08-30 CN disclosed