SCHEMBL3358178

SCHEMBL3358178

CSCc1ccc(Oc2ccc(CSC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.43
LTA4H P09960 3/20 0.41
IDO1 P14902 2/20 0.39
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5209430 0.84 MAPT (0.44) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL1145768 0.83 IDO1 (0.57) LTA4HIDO1APPALDH1A1CYP3A4
SCHEMBL23963855 0.81 IDO1 (0.37) IDO1APPMAPTMEN1KMT2A
SCHEMBL24332758 0.81 IDO1 (0.41) IDO1APPMAPTMEN1KMT2A
SCHEMBL22199500 0.78 CYP1A2 (0.59) MAPTKMT2AALDH1A1CYP3A4LMNA
SCHEMBL514636 0.76 BCHE (0.53) ALDH1A1TSHR
SCHEMBL25057436 0.76 IDO1 (0.38) IDO1APPALDH1A1CYP3A4TSHR
SCHEMBL17057778 0.76 NPC1 (0.54) LTA4HMEN1KMT2ATSHRLMNA
SCHEMBL21765871 0.76 HRH3 (0.42) IDO1MAPTMEN1KMT2ALMNA
SCHEMBL14139588 0.74 LMNA (0.53) MAPTMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN claimed
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN disclosed
US-8912150-B2 Ribosome structure and protein synthesis inhibitors MELINTA THERAPEUTICS, INC. (US) 2014-12-16 US disclosed
US-20140066623-A1 Ribosome Structure and Protein Synthesis Inhibitors MELINTA THERAPEUTICS, LLC 2014-03-06 US disclosed
US-20100204253-A1 Ribosome Structure and Protein Synthesis Inhibitors YALE UNIVERSITY (US) 2010-08-12 US disclosed
US-7666849-B2 ligands that are designed to specifically kill or inhibit the growth of any target organism RIB-X PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-20050272681-A1 ligands that are designed to specifically kill or inhibit the growth of any target organism YALE UNIVERSITY (US) 2005-12-08 US disclosed
US-6947845-B2 Method of identifying molecules that bind to the large ribosomal subunit YALE UNIVERSITY (US) 2005-09-20 US disclosed
US-20050036997-A1 Molecular modeling of the binding sites for anisomycin, azithromycin, erythromycin, linezolid, tylosin, carbomycin A, spiramycin, virginiamycin, sparsomycin and blasticidin using the Haloarcular marismortui large ribosomal subunit; drug design and drug screening YALE UNIVERSITY (US) 2005-02-17 US disclosed
EP-1308457-A1 Ribosome structure and protein synthesis inhibitors YALE UNIVERSITY (US) 2003-05-07 EP disclosed