SCHEMBL31294552

SCHEMBL31294552

CC(C)(C(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)C1CCC1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.45
FOLH1 Q04609 2/20 0.39
ACE P12821 2/20 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
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL31294449 0.97 AVPR1A (0.44) AVPR1AFOLH1ACEMMP13
SCHEMBL31294665 0.96 AVPR1A (0.44) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294211 0.85 CPB2 (0.48) AVPR1AFOLH1GRNSORT1
SCHEMBL31294537 0.83 AVPR1A (0.46) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294615 0.82 CPB2 (0.51) AVPR1AGRNSORT1
SCHEMBL31294293 0.82 FOLH1 (0.44) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294381 0.82 FOLH1 (0.44) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294428 0.82 FOLH1 (0.44) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294556 0.81 FOLH1 (0.43) AVPR1AFOLH1ACES1PR2S1PR4
SCHEMBL31294226 0.81 FOLH1 (0.43) AVPR1AFOLH1ACES1PR2S1PR4

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