SCHEMBL8245686

SCHEMBL8245686

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CTSL P07711 4/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ SYK P43405 1/20 0.53
▸ PAX8 Q06710 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ KLK7 P49862 1/20 0.52
▸ CTSS P25774 4/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL8246040 1.00 MAPT (0.53) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL5309738 1.00 MAPT (0.53) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL5308378 0.95 PAX8 (0.57) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL5302755 0.95 MAPT (0.59) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL8242070 0.95 MAPT (0.59) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL8242759 0.93 MAPT (0.54) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL5303739 0.93 MAPT (0.54) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL19971942 0.91 SIRT2 (0.53) MAPTCTSLSYKKLK5KLK7
SCHEMBL8242077 0.91 CTSL (0.62) MAPTPOLBMAPK1CTSLPTGER4
SCHEMBL19971949 0.91 SIRT2 (0.53) MAPTCTSLSYKKLK5KLK7

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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