SCHEMBL20566873

SCHEMBL20566873

C=CCC(NC(=O)OCc1ccccc1)C(=O)N(CC=C)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
CTSK P43235 7/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 1/20 0.42
ACE P12821 1/20 0.42
CCR5 P51681 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
OPRK1 P41145 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL1439945 1.00 TGM2 (0.43) TGM2F13A1TGM1CTSKCTSL
SCHEMBL1440097 1.00 TGM2 (0.43) TGM2F13A1TGM1CTSKCTSL
SCHEMBL9933255 0.90 ITGB3 (0.43) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL9933258 0.90 ITGB3 (0.43) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL28442161 0.90 ITGB3 (0.43) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL9934458 0.90 ITGB3 (0.43) CTSKCTSLCTSSITGB3ITGA2B
SCHEMBL13923719 0.72 ACE (0.63) ACEPREP
SCHEMBL20566871 0.72 BTK (0.37) CCR5
SCHEMBL12877486 0.72 PREP (0.50) TGM2F13A1TGM1CTSKCTSL
SCHEMBL23295571 0.71 CTSK (0.54) CTSKCTSLCTSSCTSBACE

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
EP-2473049-B1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-11-28 EP disclosed