SCHEMBL4632129

SCHEMBL4632129

CCSC(NC(=O)CS)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACE P12821 2/20 0.32
MME P08473 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL4949463 0.84 CYP2C9 (0.42) MAPTSMN1; SMN2
SCHEMBL4952926 0.82 OR51E2 (0.30)
SCHEMBL4955458 0.81 HDAC3 (0.40) MAPTSMN1; SMN2
SCHEMBL4632774 0.80 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4953043 0.78 MAPT (0.42) KDM4EMAPTTHRBALOX15NFKB1
Acetamide SCHEMBL27629993 0.75 CAD (0.39) ALOX15
SCHEMBL4954094 0.73 ACE (0.33) KDM4EACEMMECPA1ACE2
SCHEMBL4954486 0.73 TP53 (0.37) KDM4EACEMMECPA1ACE2
SCHEMBL3394612 0.73
SCHEMBL4951653 0.72 ALDH1A1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed