SCHEMBL8729461

SCHEMBL8729461

NC(=O)[C@H](CC(=O)O)NCCP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
FOLH1 Q04609 2/20 0.36
ENPEP Q07075 2/20 0.34
ANPEP P15144 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPRA P18433 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8728300 0.90 CA2 (0.40) CA2CA4FOLH1ENPEPGRIN2D
SCHEMBL8515969 0.87 CA2 (0.38) CA2CA4FOLH1LMNABLM
SCHEMBL3095619 0.81 ANPEP (0.35) ENPEPANPEPPGK1PGK2GRIN2D
SCHEMBL7747031 0.81 CA2 (0.44) CA2CA4FOLH1PTPN1PTPN2
SCHEMBL27902177 0.77 GGT1 (0.46) CA2CA4LMNA
SCHEMBL4553554 0.77 GABRR1 (0.32) CA2CA4MEN1LMNAKMT2A
SCHEMBL4030392 0.77 GABRR1 (0.32) CA2CA4MEN1LMNAKMT2A
SCHEMBL5144359 0.77 GABRR1 (0.32) CA2CA4MEN1LMNAKMT2A
SCHEMBL3100443 0.76 LMNA (0.44) ENPEPANPEPLMNATSHRBLM
SCHEMBL8728335 0.76 GPR84 (0.33) CA2ENPEP

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-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP claimed