SCHEMBL9116813

SCHEMBL9116813

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PSMB11 A5LHX3 1/20 0.45
PSMA7 O14818 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMA1 P25786 1/20 0.45
PSMA2 P25787 1/20 0.45
PSMA3 P25788 1/20 0.45
PSMA4 P25789 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45

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
SCHEMBL12308077 0.87 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL10363717 0.86 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL10363716 0.86 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL11702076 0.84 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL11555294 0.84 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL30522059 0.83 MAPT (0.46) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL2428805 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ETHRBALOX15
Dacisteine SCHEMBL2402188 0.81 MAPT (0.55) ALDH1A1MAPTKDM4ETHRBALOX15
Dacisteine SCHEMBL1814125 0.81 MAPT (0.55) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL9522833 0.81 MAPT (0.47) ALDH1A1MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995034303-A1 METHOD FOR THE TREATMENT, PREVENTION OR MINIMIZATION OF HAIR LOSS ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-12-21 WO claimed
WO-1995017900-A1 METHODS FOR THE TREATMENT OF THE CENTRAL NERVOUS SYSTEM OR EYE INVOLVING PATHOGENIC OXIDATION PATHWAYS ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-07-06 WO claimed
WO-1995000136-A1 METHOD FOR TREATING HYPERKERATOSIS AND DISEASES MEDIATED BY PROTEASES ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-01-05 WO claimed
WO-1995026719-A1 METHOD FOR DELIVERING BIOLOGICALLY ACTIVE MATERIALS USING A THIOESTER OR THIOETHER PRODRUG ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-10-12 WO disclosed
WO-1995017900-A1 METHODS FOR THE TREATMENT OF THE CENTRAL NERVOUS SYSTEM OR EYE INVOLVING PATHOGENIC OXIDATION PATHWAYS ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-07-06 WO disclosed
WO-1995000136-A1 METHOD FOR TREATING HYPERKERATOSIS AND DISEASES MEDIATED BY PROTEASES ARCTURUS PHARMACEUTICAL CORPORATION (US) 1995-01-05 WO disclosed