SCHEMBL4412285

SCHEMBL4412285

CCCCOC(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.60
▸ ACE P12821 3/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.55
▸ NMBR P28336 5/20 0.54
▸ KCNA5 P22460 1/20 0.54
▸ ECE1 P42892 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ IL1RN P18510 1/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.53

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
SCHEMBL4410184 1.00 ERAP2 (0.60) ERAP2ACESIRT5NMBRKCNA5
SCHEMBL4612012 0.91 KCNA5 (0.63) ACENMBRKCNA5ECE1MEN1
SCHEMBL8785114 0.91 KCNA5 (0.63) ACENMBRKCNA5ECE1MEN1
SCHEMBL3820631 0.91 KCNA5 (0.63) ACENMBRKCNA5ECE1MEN1
Glycine SCHEMBL28118897 0.88 NMBR (0.60) ACENMBRKCNA5ECE1MEN1
Glycine SCHEMBL28118895 0.88 NMBR (0.60) ACENMBRKCNA5ECE1MEN1
SCHEMBL27462136 0.86 ERAP2 (0.60) ERAP2ACEECE1MEN1KMT2A
SCHEMBL27462135 0.86 ERAP2 (0.60) ERAP2ACEECE1MEN1KMT2A
SCHEMBL4419904 0.86 PPARG (0.54) ERAP2ACENMBRKCNA5MEN1
Pyridine SCHEMBL27529532 0.85 KCNA5 (0.58) ACENMBRKCNA5ECE1MEN1

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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