SCHEMBL9522833

SCHEMBL9522833

CC(=O)NC(CSC(=O)C(CCl)NC(C)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PAM P19021 1/20 0.43
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39

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
SCHEMBL9522825 1.00 MAPT (0.47) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12308077 0.82 ALDH1A1 (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6920981 0.81 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL497231 0.81 MAPT (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10363716 0.81 ALDH1A1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9116813 0.81 ALDH1A1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10363717 0.81 ALDH1A1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
Dacisteine SCHEMBL2402188 0.80 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
Dacisteine SCHEMBL1814125 0.80 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL11555294 0.79 ALDH1A1 (0.50) MAPTKDM4ETHRBALOX15NFKB1

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
EP-0301474-B1 NEW CYSTEINE DERIVATIVES HAVING EXPECTORANT ACTIVITY MAGIS FARMACEUTICI S.P.A. (IT) 1993-09-29 EP disclosed
US-4910222-A Bronchodilator MAGIS FARMACEUTICI SPA (IT) 1990-03-20 US disclosed
EP-0301474-A2 New cysteine derivatives having expectorant activity MAGIS FARMACEUTICI S.P.A. (IT) 1989-02-01 EP disclosed