SCHEMBL31294428

SCHEMBL31294428

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 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.44
ACE P12821 2/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
AVPR1A P37288 1/20 0.41
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
RIMKLA Q8IXN7 1/20 0.39
CCKBR P32239 2/20 0.39

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
SCHEMBL31294293 1.00 FOLH1 (0.44) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294381 1.00 FOLH1 (0.44) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294459 0.89 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294357 0.88 FOLH1 (0.49) FOLH1ACEADAMTS5
SCHEMBL31294631 0.88 GRN (0.53) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294226 0.87 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294556 0.87 FOLH1 (0.43) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294647 0.87 ENPEP (0.45) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294593 0.87 ENPEP (0.45) FOLH1ACEGRNSORT1AVPR1A
SCHEMBL31294250 0.85 AVPR1A (0.55) 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