SCHEMBL11773446

SCHEMBL11773446

CCOC(=O)[C@H](CSSC[C@H](NC(C)=O)C(=O)O)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 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
▸ ITGB1 P05556 2/20 0.45
▸ ITGA4 P13612 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 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
SCHEMBL11773441 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL2953807 0.93 CYP1A2 (0.44) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL2953811 0.93 CYP1A2 (0.44) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL2953812 0.93 CYP1A2 (0.44) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL19216892 0.88 ITGB1 (0.43) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL31629599 0.88 NOD1 (0.40) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL24359843 0.86 ITGB1 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL11774610 0.86 ITGB1 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL11774604 0.86 ITGB1 (0.57) SMN1; SMN2MAPTKDM4ETHRBALOX15
SCHEMBL24067699 0.86 MAPT (0.59) SMN1; SMN2MAPTKDM4ETHRBALOX15

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
US-3952115-A Fortification of foodstuffs with N-acyl derivatives of sulfur-containing L-amino acid esters THE PROCTER & GAMBLE COMPANY (US) 1976-04-20 — — US disclosed
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