SCHEMBL3364340

SCHEMBL3364340

CCSCC[C@@H](NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GNPAT O15228 2/20 0.42
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
HDAC2 Q92769 1/20 0.38
FOLH1 Q04609 2/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL468743 1.00 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL468741 1.00 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4953117 0.87 MAPT (0.48) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL15368933 0.87 MAPT (0.38) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4953163 0.84 KDM4E (0.46) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL9636369 0.84 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL9636364 0.84 MAPT (0.57) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL3163152 0.84 MAPT (0.48) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL12467298 0.84 MAPT (0.36) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL3163148 0.84 MAPT (0.48) MAPTALOX15KDM4ETHRBNFKB1

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
WO-2010004119-A1 ABSORBENT SOLUTION CONTAINING A SULPHUR-CONTAINING DEGRADATION INHIBITOR DERIVED FROM AN AMINO ACID AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBENT SOLUTION IFP (FR) 2010-01-14 WO claimed
WO-2010004119-A1 ABSORBENT SOLUTION CONTAINING A SULPHUR-CONTAINING DEGRADATION INHIBITOR DERIVED FROM AN AMINO ACID AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBENT SOLUTION IFP (FR) 2010-01-14 WO disclosed