SCHEMBL4410191

SCHEMBL4410191

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.55
▸ ERAP1 Q9NZ08 3/20 0.55
▸ LNPEP Q9UIQ6 3/20 0.55
▸ PPARG P37231 1/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HCRTR1 O43613 1/20 0.54
▸ P2RY14 Q15391 1/20 0.54
▸ KCNA5 P22460 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ACE P12821 3/20 0.51
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 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
SCHEMBL27947484 0.86 MEN1 (0.58) ERAP2ERAP1LNPEPPPARGMEN1
SCHEMBL16344017 0.86 MEN1 (0.58) ERAP2ERAP1LNPEPPPARGMEN1
SCHEMBL12819471 0.85 MEN1 (0.57) ERAP2ERAP1LNPEPPPARGMEN1
Hydrochloric Acid SCHEMBL12819866 0.85 MEN1 (0.57) ERAP2ERAP1LNPEPPPARGMEN1
SCHEMBL16254021 0.85 POLB (0.60) ERAP2PPARGMEN1KMT2AHCRTR1
Hydrochloric Acid SCHEMBL12819559 0.84 MEN1 (0.56) ERAP2ERAP1LNPEPPPARGMEN1
Hydrochloric Acid SCHEMBL16343490 0.84 MEN1 (0.56) ERAP2ERAP1LNPEPPPARGMEN1
SCHEMBL4419904 0.84 PPARG (0.54) ERAP2ERAP1LNPEPPPARGMEN1
SCHEMBL16250728 0.84 MEN1 (0.65) ERAP2PPARGMEN1KMT2AHCRTR1
SCHEMBL16381767 0.84 MEN1 (0.60) ERAP2ERAP1LNPEPPPARGMEN1

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
Send feedback