SCHEMBL6805970

SCHEMBL6805970

O=C(CCC(=O)C(=O)OC(=O)[C@@H]1CCCN1)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
PRCP P42785 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
ELANE P08246 1/20 0.32
DPP7 Q9UHL4 2/20 0.31
FAP Q12884 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL542283 0.90 NOS2 (0.39) NOS2PRCPNOS3NOS1DPP4
SCHEMBL11559279 0.84 LMNA (0.40) NOS2PRCPNOS3NOS1DPP4
SCHEMBL11474555 0.81 NOS2 (0.35) NOS2PRCPNOS3NOS1DPP4
SCHEMBL7374027 0.81 NOS2 (0.35) NOS2PRCPNOS3NOS1DPP4
SCHEMBL599792 0.81 ALDH1A1 (0.45) NOS2PRCPNOS3NOS1DPP4
SCHEMBL7379328 0.81 NOS2 (0.35) NOS2PRCPNOS3NOS1DPP4
SCHEMBL11475872 0.81 PRCP (0.38) NOS2PRCPNOS3NOS1DPP4
SCHEMBL11618241 0.80 PRCP (0.38) PRCPDPP4DPP8DPP7
SCHEMBL8518994 0.79 LMNA (0.42) NOS2PRCPNOS3NOS1ELANE
SCHEMBL30265157 0.78 PRCP (0.44) NOS2PRCPNOS3NOS1DPP4

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
US-20040127413-A1 Enteric keto acid and amino acid salts and their use for preparing medicines AVAYA TECHNOLOGY LLC 2004-07-01 US disclosed