SCHEMBL6825656

SCHEMBL6825656

O=C(O)c1csc(SSc2nc(C(=O)O)cs2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PLA2G4A P47712 1/20 0.41
ACHE P22303 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
HPGDS O60760 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3114211 0.83 L3MBTL1 (0.50) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL9481442 0.83 L3MBTL1 (0.46) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL21962990 0.82 RAB9A (0.57) ALDH1A1TSHRTDP1
SCHEMBL9749568 0.78 L3MBTL1 (0.43) L3MBTL1PRKAG1PRKAA2PRKAB1ALDH1A1
SCHEMBL12964364 0.78 PLA2G4A (0.46) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL14805662 0.78 L3MBTL1 (0.46) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL6786585 0.76 ALDH1A1 (0.63) L3MBTL1KDM4EALDH1A1ACHEHPGDS
SCHEMBL9750229 0.75 APEX1 (0.53) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL12964413 0.75 PLA2G4A (0.48) L3MBTL1ALDH1A1PLA2G4A
SCHEMBL9750226 0.75 KDM4E (0.45) L3MBTL1PRKAG1PRKAA2PRKAB1KDM4E

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-1383499-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES Grassetti, Davide R. (US) 2004-01-28 EP disclosed
WO-2002055080-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI DAVIDE R (US) 2002-07-18 WO disclosed