SCHEMBL5303739

SCHEMBL5303739

CCOC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SIRT1 Q96EB6 4/20 0.54
▸ SIRT2 Q8IXJ6 3/20 0.54
▸ SYK P43405 1/20 0.53
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 2/20 0.52
▸ PTGER4 P35408 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KLK7 P49862 2/20 0.51
▸ KLK5 Q9Y337 2/20 0.51
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ PSMB8 P28062 1/20 0.49
▸ PSMB9 P28065 1/20 0.49

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
SCHEMBL8242759 1.00 MAPT (0.54) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL5302755 0.95 MAPT (0.59) MAPTPOLBMAPK1SYKCTSL
SCHEMBL8242070 0.95 MAPT (0.59) MAPTPOLBMAPK1SYKCTSL
SCHEMBL5309251 0.95 POLB (0.50) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL8243061 0.95 POLB (0.50) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL5308378 0.93 PAX8 (0.57) MAPTPOLBMAPK1SYKCTSL
SCHEMBL8242995 0.93 MAPT (0.53) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL5300038 0.93 MAPT (0.53) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL5309738 0.93 MAPT (0.53) MAPTPOLBMAPK1SIRT1SIRT2
SCHEMBL8246040 0.93 MAPT (0.53) MAPTPOLBMAPK1SIRT1SIRT2

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
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — WO disclosed
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