SCHEMBL31294449

SCHEMBL31294449

CC(C)(C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)C1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.44
FOLH1 Q04609 2/20 0.39
MMP13 P45452 1/20 0.39
ACE P12821 1/20 0.38
CPB2 Q96IY4 2/20 0.38
EPHX2 P34913 1/20 0.37
CCR1 P32246 1/20 0.37
CTSL P07711 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
SCHEMBL31294552 0.97 AVPR1A (0.45) AVPR1AFOLH1MMP13ACE
SCHEMBL31294665 0.95 AVPR1A (0.44) AVPR1AFOLH1ACE
SCHEMBL31294615 0.85 CPB2 (0.51) AVPR1ACPB2CTSL
SCHEMBL31294211 0.82 CPB2 (0.48) AVPR1AFOLH1CPB2CTSL
SCHEMBL31228997 0.82 AVPR1A (0.41) AVPR1AMMP13
SCHEMBL31294537 0.82 AVPR1A (0.46) AVPR1AFOLH1ACECPB2CTSL
SCHEMBL31294428 0.81 FOLH1 (0.44) AVPR1AFOLH1ACE
SCHEMBL31294381 0.81 FOLH1 (0.44) AVPR1AFOLH1ACE
SCHEMBL31294293 0.81 FOLH1 (0.44) AVPR1AFOLH1ACE
SCHEMBL31294556 0.80 FOLH1 (0.43) AVPR1AFOLH1ACE

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