SCHEMBL8243065

SCHEMBL8243065

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PTGER4 P35408 2/20 0.49
▸ CTSL P07711 4/20 0.49
▸ KLK7 P49862 2/20 0.48
▸ KLK5 Q9Y337 2/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ PSMB9 P28065 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CTSS P25774 4/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 2/20 0.47

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
SCHEMBL5303063 1.00 MAPT (0.51) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL8242070 0.92 MAPT (0.59) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL5302755 0.92 MAPT (0.59) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL5307097 0.92 PTGER4 (0.56) PTGER4CTSLALDH1A1CTSSCTSB
SCHEMBL5297597 0.92 MEN1 (0.53) CTSLKLK7KLK5PSMB5CTSS
SCHEMBL8237024 0.92 MEN1 (0.53) CTSLKLK7KLK5PSMB5CTSS
SCHEMBL5308378 0.90 PAX8 (0.57) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL5303739 0.89 MAPT (0.54) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL8242759 0.89 MAPT (0.54) MAPTPOLBMAPK1PTGER4CTSL
SCHEMBL5309738 0.89 MAPT (0.53) MAPTPOLBMAPK1PTGER4CTSL

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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