SCHEMBL8242995

SCHEMBL8242995

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

nearest known ligand 0.53

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 3/20 0.52
▸ CTSS P25774 2/20 0.52
▸ SYK P43405 1/20 0.52
▸ SIRT2 Q8IXJ6 6/20 0.50
▸ SIRT1 Q96EB6 5/20 0.50
▸ SIRT3 Q9NTG7 3/20 0.50
▸ PTGER4 P35408 1/20 0.50
▸ KLK7 P49862 2/20 0.49
▸ KLK5 Q9Y337 2/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ PSMB8 P28062 1/20 0.48

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
SCHEMBL5300038 1.00 MAPT (0.53) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL8242070 0.94 MAPT (0.59) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL5302755 0.94 MAPT (0.59) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL8242759 0.93 MAPT (0.54) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL5303739 0.93 MAPT (0.54) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL5308378 0.92 PAX8 (0.57) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL8246040 0.91 MAPT (0.53) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL5309738 0.91 MAPT (0.53) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL8245686 0.91 MAPT (0.53) MAPTPOLBMAPK1CTSLCTSS
SCHEMBL8245679 0.88 CTSL (0.62) MAPTPOLBMAPK1CTSLCTSS

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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