SCHEMBL3103180

SCHEMBL3103180

NC(=O)[C@H](Cc1ccc(O)cc1)NCP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
ACE P12821 3/20 0.43
MME P08473 2/20 0.43
ECE1 P42892 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
SLC7A5 Q01650 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
HPGDS O60760 2/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3103171 1.00 PTPN2 (0.47) PTPN2PTPN1ACEMMEECE1
SCHEMBL3098759 0.86 LAP3 (0.56) PTPN1MMEECE1MEN1KMT2A
SCHEMBL3098754 0.86 LAP3 (0.56) PTPN1MMEECE1MEN1KMT2A
SCHEMBL2996598 0.86 MME (0.56) ACEMMEECE1MEN1KMT2A
SCHEMBL2989598 0.86 MME (0.56) ACEMMEECE1MEN1KMT2A
SCHEMBL5269150 0.81 PTPN2 (0.49) PTPN2PTPN1ACECA1CA12
SCHEMBL5269145 0.81 PTPN2 (0.49) PTPN2PTPN1ACECA1CA12
SCHEMBL2992789 0.81 BACE1 (0.48) MMEECE1MEN1KMT2ACA1
SCHEMBL27743729 0.81 BACE1 (0.48) MMEECE1MEN1KMT2ACA1
SCHEMBL3090770 0.81 ACE (0.44) PTPN2PTPN1ACEMMECA1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed