SCHEMBL7077595

SCHEMBL7077595

O=C1Oc2ccccc2CC1S(=O)(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
KLK5 Q9Y337 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL7131700 0.83 KLK5 (0.40) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL29200119 0.74 KDM4E (0.35) MAOBKLK5SIRT1PPARGKDM4E
SCHEMBL1136558 0.74 PSEN1 (0.40) PPARGMEN1KMT2A
SCHEMBL11639477 0.72 MAOA (0.41) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL31185920 0.72 ANPEP (0.47) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL15147104 0.72 ACHE (0.48) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL4467512 0.72 ANPEP (0.47) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL29629339 0.72 ACHE (0.48) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL8927781 0.72 ACHE (0.48) MAOBMAOAKLK5SIRT1PPARG
SCHEMBL2885515 0.72 MAOA (0.43) MAOBMAOAKLK5SIRT1PPARG

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-0980364-B1 Process for preparing coumarin sulphonates CLARIANT FINANCE BVI LTD (VG) 2003-07-02 EP disclosed
EP-0980364-A1 PROCESS FOR PREPARING COUMARIN SULFONATES Clariant International Ltd. (CH) 2000-02-23 EP disclosed
WO-1998039318-A1 PROCESS FOR PREPARING COUMARIN SULFONATES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
US-5773591-A PHOTORESISTS, LIGHT SENSITIVE ELEMENTS AND DIAZO RESINS HOECHST CELANESE CORP. (US) 1998-06-30 US disclosed