SCHEMBL4874581

SCHEMBL4874581

CCC(C(CS)C(=O)O)(C(CS)C(=O)O)C(CS)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
BLM P54132 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPEP Q07075 4/20 0.34
ACE P12821 1/20 0.32
FOLH1 Q04609 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL16450505 0.75 PTGS1 (0.40) PTGS1SLC7A11BLMKDM4EMAPT
SCHEMBL1849072 0.70 RNPEP (0.42) PTGS1KDM4EMAPTALOX15ENPEP
SCHEMBL11540622 0.70 PTGS1 (0.40) PTGS1SLC7A11BLMKDM4EMAPT
SCHEMBL4231253 0.67 PTGS1 (0.37) PTGS1SLC7A11BLMKDM4EMAPT
SCHEMBL10380750 0.65 PTGS1 (0.41) PTGS1SLC7A11BLMKDM4EMAPT
SCHEMBL401412 0.65 HSPD1 (0.37) PTGS1BLMMAPTTHRBRECQL
SCHEMBL28656014 0.65 ALDH1A1 (0.37) PTGS1BLMKDM4EMAPTALOX15
SCHEMBL29240848 0.65 CHRM1 (0.35) BLMCHRM1AKR1A1CHRM3HTR2A
SCHEMBL474110 0.64 ENPEP (0.35) PTGS1SLC7A11BLMKDM4EMAPT
SCHEMBL15821811 0.63 CA2 (0.38) PTGS1BLMMAPTRECQLENPEP

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
US-20080139690-A1 Coating Agents for Producing Formable, Scratch and Soiling-Resistant Coatings, Scratch-Resistant, Formable and Soiling-Resistant Shaped Bodies and a Method for the Production Thereof ROEHM GMBH (DE) 2008-06-12 US disclosed
EP-0730011-B1 Scratch-resistant, UV-curable coating containing a copolymerizable thickener ROEHM GMBH (DE) 1998-12-09 EP disclosed
EP-0730011-A1 Scratch-resistant, UV-curable coating containing a copolymerizable thickener RÖHM GMBH (DE) 1996-09-04 EP disclosed