SCHEMBL9075541

SCHEMBL9075541

C=C(C)C(=O)N[C@@H](CSC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.67
FOLH1 Q04609 6/20 0.38
NAALAD2 Q9Y3Q0 3/20 0.38
RIMKLA Q8IXN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15451466 0.90 TGFBR1 (0.69) TGFBR1FOLH1NAALAD2RIMKLAKDM4E
SCHEMBL6156710 0.84 TGFBR1 (0.61) TGFBR1FOLH1ALOX15ALDH1A1LMNA
SCHEMBL6156715 0.84 TGFBR1 (0.61) TGFBR1FOLH1ALOX15ALDH1A1LMNA
SCHEMBL5331603 0.80 TGFBR1 (1.00) TGFBR1FOLH1NAALAD2KDM4EMAPT
SCHEMBL4442415 0.80 TGFBR1 (0.71) TGFBR1FOLH1NAALAD2KDM4EMAPT
SCHEMBL5891585 0.80 TGFBR1 (1.00) TGFBR1FOLH1NAALAD2KDM4EMAPT
SCHEMBL6658481 0.79 MAPT (0.59) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL13921443 0.79 MAPT (0.59) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL4952983 0.79 MAPT (0.59) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL1556930 0.79 TGFBR1 (0.65) TGFBR1FOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576949-B1 Optically active amino acid sulphoxide and sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatograpic separation of racemates BAYER AG (DE) 1996-01-31 EP disclosed
US-5481026-A ADDITION POLYMERIZABLE TO CHROMATOGRAPHIC SUPPORTS FOR SEPARATION OF RACEMIC MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
US-5357001-A Optically active amino acid sulphoxide and amino acid sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatographic resolution of racemates BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
EP-0576949-A1 Optically active amino acid sulphoxide and sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatograpic separation of racemates BAYER AG (DE) 1994-01-05 EP disclosed