SCHEMBL31294593

SCHEMBL31294593

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 5/20 0.45
FOLH1 Q04609 2/20 0.41
HTT P42858 1/20 0.40
ACE P12821 1/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
AVPR1A P37288 1/20 0.39
PRCP P42785 1/20 0.38
BACE1 P56817 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL31294647 1.00 ENPEP (0.45) ENPEPFOLH1HTTACEGRN
SCHEMBL31294459 0.91 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294462 0.91 ENPEP (0.47) ENPEPFOLH1ACEBACE1ADAMTS4
SCHEMBL31294344 0.89 FOLH1 (0.46) ENPEPFOLH1ADAMTS5
SCHEMBL31294226 0.88 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294428 0.87 FOLH1 (0.44) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294381 0.87 FOLH1 (0.44) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294293 0.87 FOLH1 (0.44) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294631 0.84 GRN (0.53) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294556 0.84 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A

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