SCHEMBL14254331

SCHEMBL14254331

COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TACR3 P29371 1/20 0.40
S1PR3 Q99500 1/20 0.40
KLK5 Q9Y337 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2582580 0.88 CTSS (0.48) CTSSCTSKTACR3S1PR3KLK5
SCHEMBL1554126 0.88 CTSS (0.48) CTSSCTSKTACR3S1PR3KLK5
SCHEMBL1554122 0.88 CTSS (0.48) CTSSCTSKTACR3S1PR3KLK5
SCHEMBL16174090 0.88 CTSK (0.50) CTSSCTSKPPARGPPARAS1PR3
SCHEMBL16171653 0.88 CTSK (0.50) CTSSCTSKPPARGPPARAS1PR3
SCHEMBL3503830 0.87 CTSS (0.47) CTSSCTSKS1PR3MAPTALDH1A1
SCHEMBL1525552 0.87 S1PR3 (0.52) CTSSCTSKPPARGPPARATACR3
SCHEMBL21787638 0.87 CTSS (0.47) CTSSCTSKS1PR3KLK5PDE2A
SCHEMBL2426585 0.87 NPSR1 (0.50) CTSSCTSKPPARGPPARATACR3
SCHEMBL13808330 0.87 NPSR1 (0.50) CTSSCTSKPPARGPPARATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894911-A1 VITAMIN D-LIKE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-05 EP disclosed