SCHEMBL6945874

SCHEMBL6945874

CC(=O)N[C@H](CSC[C@@H]1C(=O)CC[C@H]1C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ICMT O60725 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL8022039 1.00 MAPT (0.40) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL8026507 1.00 MAPT (0.40) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL6945876 1.00 MAPT (0.40) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL6945871 1.00 MAPT (0.40) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL6857843 0.93 ALDH1A1 (0.39) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL6857836 0.93 ALDH1A1 (0.39) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL6857839 0.93 ALDH1A1 (0.39) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL8076668 0.89 MAPT (0.38) MAPTALDH1A1ICMTSMN1; SMN2KDM4E
SCHEMBL8009063 0.89 CACNA1B (0.33) MAPTALDH1A1NFKB1PSMB11PSMA7
SCHEMBL8076666 0.89 MAPT (0.38) MAPTALDH1A1ICMTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976709-A4 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU KK (JP) 2003-03-19 EP disclosed
WO-1997028114-A1 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU CO., LTD. (JP) 1997-08-07 WO disclosed