SCHEMBL10378259

SCHEMBL10378259

CCCCCC(=O)NC(C(=O)NC(C(=O)OCc1ccccc1)C(C)C)C(CO)CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)COCc1ccccc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL10378981 0.89 LTA4H (0.34) LTA4HLPAR1LPAR3
SCHEMBL7323322 0.83 LPAR1 (0.35) LPAR1LPAR3
SCHEMBL7327199 0.83 LTA4H (0.34) LTA4HLPAR1LPAR3
SCHEMBL7331046 0.76 CTSD (0.33)
SCHEMBL7332552 0.75 CTSD (0.34)
SCHEMBL7330559 0.75 LTA4H (0.34) LTA4H
SCHEMBL7330386 0.75 PSMB1 (0.42) LTA4H
SCHEMBL7324372 0.74 SDCBP (0.35)
SCHEMBL7328954 0.74 SDCBP (0.35)
SCHEMBL10378644 0.73 CTSD (0.35)

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