SCHEMBL7306368

SCHEMBL7306368

Nc1ccc(CN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
MAPT P10636 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
FDPS P14324 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL4806015 0.78 RAB9A (0.50) ALDH1A1MAPTITGB1ITGA5ITGB3
SCHEMBL8425241 0.78 MAPT (0.48) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL6647621 0.78 LMNA (0.57) ALDH1A1TSHRTDP1LMNACA9
SCHEMBL26099644 0.76 ALDH1A1 (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL627450 0.74 MAPT (0.44) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7944783 0.74 GRM2 (0.44) CYP3A4MAOAMAPTFDPSLMNA
SCHEMBL4678735 0.74 FDPS (0.38) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL22690199 0.74 ALDH1A1 (0.41) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL15524818 0.74 HDAC1 (0.44) ALDH1A1CYP3A4MAOBMAPTKDM4E
SCHEMBL335254 0.74 MEN1 (0.50) GFERALDH1A1CYP3A4TSHRTDP1

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
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed