SCHEMBL7989249

SCHEMBL7989249

CCOC(=O)N1CCc2sc(CC(=O)O)c(C)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
RXFP1 Q9HBX9 3/20 0.43
PDE4D Q08499 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL7988292 0.86 ADORA1 (0.49) MAPTKDM4EADORA1
SCHEMBL7975250 0.85 MAPT (0.42) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL7986737 0.84 MAPT (0.42) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL7975391 0.73 POLB (0.50) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL7992474 0.73 ADORA1 (0.46) MAPTKDM4EADORA1
SCHEMBL11559664 0.73 MAPT (0.46) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL1181645 0.70 MAPT (0.46) MAPTKDM4EGAARXFP1ALDH1A1
SCHEMBL4875953 0.70 RXFP1 (0.49) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL623383 0.70 MAPT (0.52) MAPTKDM4EGAARXFP1PDE4D
SCHEMBL3008995 0.69 MAPT (0.43) MAPTKDM4EGAARXFP1ALDH1A1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed