SCHEMBL8058962

SCHEMBL8058962

N[C@@H](c1ccccc1)C(O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
HIF1A Q16665 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44

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
SCHEMBL5860807 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939043 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL4073511 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL939042 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL487425 1.00 DPP4 (0.56) DPP4LMNAMAPK1CYP2D6SRC
SCHEMBL6027457 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL5860803 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL8073692 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Hydrochloric Acid SCHEMBL3184809 0.98 DPP4 (0.54) DPP4LMNAMAPK1CYP2D6SRC
Cadaverine Tartrate SCHEMBL30110790 0.91 DPP4 (0.64) DPP4LMNAMAPK1CYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054233-A2 PROCESS FOR THE PREPARATION OF DOCETAXEL INSTYTUT FARMACEUTYCZNY (PL) 2008-05-08 WO disclosed
EP-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP disclosed
US-5932758-A Process for the production β-amino-α-hydroxycarboxylic acids and derivatives thereof DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
US-5932758-A Process for the production β-amino-α-hydroxycarboxylic acids and derivatives thereof DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0844992-A1 PROCESS FOR PRODUCING $g(b)-AMINO-$g(a)-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF Degussa Aktiengesellschaft (DE) 1998-06-03 EP disclosed
WO-1997002236-A1 PROCESS FOR PRODUCING β-AMINO-α-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed