SCHEMBL7019470

SCHEMBL7019470

COC[C@H](NC(=O)OC(C)(C)C)c1cccc(CCNC(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
SYK P43405 1/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSK P43235 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 1/20 0.43
CA1 P00915 2/20 0.43
PPARA Q07869 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
GHSR Q92847 1/20 0.43
IDO1 P14902 1/20 0.42
CA2 P00918 1/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 2/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL7019474 1.00 MAPT (0.54) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL7021126 0.90 MAPT (0.55) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL7021124 0.90 MAPT (0.55) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL6030677 0.86 MAPT (0.52) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL13184597 0.79 CTSK (0.53) MAPTCTSKCTSSPPARAMMP2
SCHEMBL19312076 0.79 CTSK (0.53) MAPTCTSKCTSSPPARAMMP2
SCHEMBL7754157 0.79 CTSK (0.53) MAPTCTSKCTSSPPARAMMP2
SCHEMBL23200660 0.78 MAPT (0.52) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL13921179 0.78 MAPT (0.54) MAPTSYKLMNASMN1; SMN2CTSK
SCHEMBL4493086 0.78 MAPT (0.54) MAPTSYKLMNASMN1; SMN2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed