SCHEMBL31294615

SCHEMBL31294615

CC(C)(C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCC(=O)O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.51
MMP1 P03956 7/20 0.44
MMP2 P08253 7/20 0.44
MMP3 P08254 7/20 0.44
AVPR1A P37288 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
LTA4H P09960 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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 0.97 CPB2 (0.48) CPB2MMP1MMP2MMP3AVPR1A
SCHEMBL31294537 0.95 AVPR1A (0.46) CPB2MMP1MMP2MMP3AVPR1A
SCHEMBL31294449 0.85 AVPR1A (0.44) CPB2AVPR1ACTSL
SCHEMBL31294226 0.84 FOLH1 (0.43) AVPR1AGRNSORT1
SCHEMBL31229243 0.83 CTSS (0.42) CPB2AVPR1ACTSS
SCHEMBL31294552 0.82 AVPR1A (0.45) AVPR1AGRNSORT1
SCHEMBL31294665 0.82 AVPR1A (0.44) AVPR1AGRNSORT1
SCHEMBL31294250 0.82 AVPR1A (0.55) MMP1AVPR1AGRNSORT1
SCHEMBL31294631 0.82 GRN (0.53) MMP3AVPR1AGRNSORT1CTSL
SCHEMBL31294319 0.81 FOLH1 (0.46) AVPR1AGRNSORT1

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