SCHEMBL8768987

SCHEMBL8768987

CCCCCC(=O)OCCC[C@H](N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.64
P2RY10 O00398 11/20 0.60
GPR34 Q9UPC5 5/20 0.60
DGKA P23743 1/20 0.58
GPR174 Q9BXC1 3/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL8768982 1.00 NOD1 (0.64) NOD1P2RY10GPR34DGKAGPR174
SCHEMBL8578438 0.94 NOD1 (0.69) NOD1P2RY10GPR34DGKAGPR174
SCHEMBL27531949 0.94 NOD1 (0.61) NOD1P2RY10GPR34DGKAGPR174
SCHEMBL27532289 0.92 NOD1 (0.62) NOD1P2RY10GPR34DGKAGPR174
SCHEMBL752723 0.90 DGKA (0.62) NOD1P2RY10GPR34DGKAGPR174
SCHEMBL17537069 0.89 NOD1 (0.62) NOD1P2RY10GPR34DGKAPRSS1
SCHEMBL30557 0.89 NOD1 (0.62) NOD1P2RY10GPR34DGKAPRSS1
SCHEMBL17537075 0.87 NOD1 (0.64) NOD1P2RY10GPR34DGKAPRSS1
SCHEMBL9005485 0.87 NOD1 (0.64) NOD1P2RY10GPR34DGKAPRSS1
SCHEMBL17537068 0.87 NOD1 (0.64) NOD1P2RY10GPR34DGKAPRSS1

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-0581429-B1 Process for synthesizing cyclic depsipeptides TAKARA SHUZO CO (JP) 1997-09-03 EP disclosed