SCHEMBL10377254

SCHEMBL10377254

COC(=O)C(C(C)C)N(C(=O)CCC(=O)CCc1ccccc1)C(=O)C(N)C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
KLK5 Q9Y337 2/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSD P07339 4/20 0.35
REN P00797 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
IDO1 P14902 1/20 0.34
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34
AKT1 P31749 2/20 0.34

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
SCHEMBL7324895 0.93 LTA4H (0.40) SYK
SCHEMBL7328746 0.82 SYK (0.38) SYKKLK5CTSSCTSKSIGMAR1
SCHEMBL10378291 0.76 LTA4H (0.39) SYK
SCHEMBL7322023 0.72 TLR2 (0.33)
SCHEMBL10378284 0.71 LTA4H (0.45) SYKREN
SCHEMBL7324667 0.69 ALOX5 (0.41)
SCHEMBL7329315 0.69 ALOX5 (0.37)
SCHEMBL7326123 0.68 SYK (0.48) SYKKLK5CTSKCTSDREN
SCHEMBL24257004 0.68 CA12 (0.42) SYKCTSSCTSKPSENEN
SCHEMBL24130775 0.68 KLK5 (0.53) SYKKLK5CTSSCTSKIDO1

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-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed