SCHEMBL31294537

SCHEMBL31294537

CC(C)(C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](CCC(=O)O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
CPB2 Q96IY4 2/20 0.45
GRN P28799 3/20 0.41
SORT1 Q99523 3/20 0.41
FOLH1 Q04609 2/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 4/20 0.39
ACE P12821 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CTSL P07711 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31294211 0.96 CPB2 (0.48) AVPR1ACPB2GRNSORT1FOLH1
SCHEMBL31294615 0.95 CPB2 (0.51) AVPR1ACPB2GRNSORT1MMP1
SCHEMBL31294226 0.86 FOLH1 (0.43) AVPR1AGRNSORT1FOLH1ACE
SCHEMBL31294665 0.84 AVPR1A (0.44) AVPR1AGRNSORT1FOLH1ACE
SCHEMBL31294250 0.84 AVPR1A (0.55) AVPR1AGRNSORT1FOLH1MMP1
SCHEMBL31294631 0.84 GRN (0.53) AVPR1AGRNSORT1FOLH1MMP3
SCHEMBL31294319 0.83 FOLH1 (0.46) AVPR1AGRNSORT1FOLH1S1PR2
SCHEMBL31294381 0.83 FOLH1 (0.44) AVPR1AGRNSORT1FOLH1ACE
SCHEMBL31294428 0.83 FOLH1 (0.44) AVPR1AGRNSORT1FOLH1ACE
SCHEMBL31294293 0.83 FOLH1 (0.44) AVPR1AGRNSORT1FOLH1ACE

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-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed