SCHEMBL2403433

SCHEMBL2403433

CC(=O)NC(CSC(C)=O)C(O)=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PAM P19021 1/20 0.36
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CPB2 Q96IY4 1/20 0.34
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33

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
Dacisteine SCHEMBL1814125 0.84 MAPT (0.55) MAPTSMN1; SMN2NFKB1KDM4ETHRB
Dacisteine SCHEMBL2402188 0.84 MAPT (0.55) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL10564990 0.82 MAPT (0.42) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL4777259 0.78 MAPT (0.39) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL2403431 0.78 MAPT (0.44) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL19288035 0.77 MME (0.39) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL9966095 0.77 KDM4E (0.38) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL13179778 0.77 MAPT (0.38) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL6470507 0.77 KDM4E (0.38) MAPTSMN1; SMN2NFKB1KDM4ETHRB
SCHEMBL5656969 0.77 KDM4E (0.38) MAPTSMN1; SMN2NFKB1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545033-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-01-16 EP disclosed
WO-2011112535-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed