SCHEMBL11234237

SCHEMBL11234237

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ICMT O60725 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL11234232 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1ICMTCYP1A2
SCHEMBL10277707 0.88 ALDH1A1 (0.42) SMN1; SMN2MAPTALDH1A1ICMT
SCHEMBL7117245 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1TDP1KDM4E
SCHEMBL7117253 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1TDP1KDM4E
SCHEMBL4668975 0.81 MAPT (0.57) SMN1; SMN2MAPTALDH1A1ICMTKDM4E
SCHEMBL4668974 0.81 MAPT (0.57) SMN1; SMN2MAPTALDH1A1ICMTKDM4E
SCHEMBL11126772 0.80 MAPT (0.43) SMN1; SMN2MAPTALDH1A1ICMTKDM4E
SCHEMBL2791101 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1CASP1TDP1
SCHEMBL8628765 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1CASP1TDP1
SCHEMBL2791099 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1CASP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57031656-A None JP disclosed
JP-S5731656-A S-ALKYL-N-ACETYL-CYSTEINAMIDE AND ITS PREPARATION MITSUBISHI CHEM IND LTD 1982-02-20 JP disclosed
JP-S05731656-A 0001-01-01 JP disclosed