SCHEMBL4419904

SCHEMBL4419904

CCCCOC(=O)N[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.54
▸ ACE P12821 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HCRTR1 O43613 1/20 0.54
▸ P2RY14 Q15391 1/20 0.54
▸ KCNA5 P22460 1/20 0.53
▸ NMBR P28336 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP14 P50281 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ERAP2 Q6P179 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ LNPEP Q9UIQ6 1/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL3820631 0.89 KCNA5 (0.63) ACEMEN1KMT2AP2RY14KCNA5
SCHEMBL4612012 0.89 KCNA5 (0.63) ACEMEN1KMT2AP2RY14KCNA5
SCHEMBL8785114 0.89 KCNA5 (0.63) ACEMEN1KMT2AP2RY14KCNA5
Glycine SCHEMBL28118897 0.86 NMBR (0.60) ACEMEN1KMT2AP2RY14KCNA5
Glycine SCHEMBL28118895 0.86 NMBR (0.60) ACEMEN1KMT2AP2RY14KCNA5
SCHEMBL4410184 0.86 ERAP2 (0.60) ACEMEN1KMT2AKCNA5NMBR
SCHEMBL4412285 0.86 ERAP2 (0.60) ACEMEN1KMT2AKCNA5NMBR
SCHEMBL644256 0.85 ACE (0.73) ACEMEN1KMT2ATP53MAPT
SCHEMBL4410191 0.84 ERAP2 (0.55) PPARGACEMEN1KMT2AHCRTR1
Pyridine SCHEMBL27529532 0.84 KCNA5 (0.58) ACEMEN1KMT2AP2RY14KCNA5

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-2121728-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL- D-TRYPTOPHAN Apotex Technologies Inc. (CA) 2009-11-25 — — EP disclosed
WO-2008064465-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL- D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2008-06-05 — — WO disclosed
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