SCHEMBL7326002

SCHEMBL7326002

CCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.56
PLA2G10 O15496 2/20 0.50
NOD1 Q9Y239 5/20 0.48
PSMB5 P28074 2/20 0.47
HDAC2 Q92769 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
FOLH1 Q04609 1/20 0.45

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
SCHEMBL7377337 0.99 BIRC2 (0.55) BIRC2PLA2G10NOD1PSMB5HDAC2
SCHEMBL7335344 0.99 BIRC2 (0.55) BIRC2PLA2G10NOD1PSMB5HDAC2
SCHEMBL17446747 0.90 PLA2G10 (0.60) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL14102628 0.90 KMT2A (0.52) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL7332515 0.88 BIRC2 (0.57) BIRC2HDAC2FOLH1
SCHEMBL18796612 0.87 BIRC2 (0.58) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL18796608 0.86 KMT2A (0.57) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL28778918 0.86 KMT2A (0.57) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL8616354 0.86 KMT2A (0.57) BIRC2PLA2G10NOD1PSMB5KMT2A
SCHEMBL18796607 0.86 KMT2A (0.57) BIRC2PLA2G10NOD1PSMB5KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
EP-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed