SCHEMBL9249999

SCHEMBL9249999

N=C(N)N(C[C@H]1CC[C@H](C(=O)O)CC1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
ALOX5 P09917 4/20 0.36
TAS2R14 Q9NYV8 9/20 0.34
VCP P55072 2/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 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
SCHEMBL8594838 0.69 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL8594835 0.69 PLG (0.54) PLGPLATLMNAANPEPENPEP
Hydrochloric Acid SCHEMBL2941906 0.68 PLG (0.52) PLGPLATLMNAANPEPENPEP
Hydrochloric Acid SCHEMBL2941904 0.68 PLG (0.52) PLGPLATLMNAANPEPENPEP
SCHEMBL8622327 0.67 KMT2A (0.37) LMNANOS3NOS1NOS2MEN1
SCHEMBL23927591 0.64 PLG (0.47) PLGPLATLMNAANPEPENPEP
SCHEMBL483345 0.64 TDP1 (0.53) PLGPLATLMNAANPEPENPEP
SCHEMBL23927593 0.64 PLG (0.47) PLGPLATLMNAANPEPENPEP
Cyclopropane Carboxylic Acid SCHEMBL630476 0.63 LMNA (0.59) PLGPLATLMNANOS2ANPEP
SCHEMBL8597951 0.63 PLG (0.50) PLGPLATLMNAANPEPENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399570-A Aspartic acid derivatives, and their use for inhibiting platelete aggregation CASSELLA AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
EP-0565896-A2 Derivatives of aspartic acid, preparation and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed