SCHEMBL5801833

SCHEMBL5801833

CCCCCCNC(CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
EPHX1 P07099 6/20 0.44
ACE P12821 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 2/20 0.41
CASP2 P42575 1/20 0.40

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
SCHEMBL7201072 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL252667 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL931570 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL252666 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL931571 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL8612865 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL25211227 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL21243388 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL21291888 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL20553468 1.00 NOD1 (0.49) NOD1MAPTSMN1; SMN2KDM4ETHRB

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
WO-2006082228-A1 METHOD FOR SYNTHESISING CYSTEINE DERIVATIVES, IN PARTICULAR THIO CARBAESTERS USED IN THE FORM OF INTERMEDIATE PRODUCTS IN DRUG SYNTHESIS ISOCHEM (FR) 2006-08-10 WO disclosed