SCHEMBL30811186

SCHEMBL30811186

C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 11/20 0.44
▸ MMP3 P08254 11/20 0.44
▸ MMP9 P14780 10/20 0.44
▸ MMP2 P08253 3/20 0.34
▸ MMP7 P09237 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP20 O60882 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ MMP10 P09238 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ MMP15 P51511 1/20 0.34
▸ MMP16 P51512 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ MMP25 Q9NPA2 1/20 0.34
▸ MMP26 Q9NRE1 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ MMP24 Q9Y5R2 1/20 0.34

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
SCHEMBL30811198 0.89 MMP1 (0.44) MMP1MMP3MMP9MMEPDCD1LG2
SCHEMBL29670626 0.88 MME (0.39) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL30811193 0.84 ENPEP (0.41) MMP1MMP3MMP9FNTAFNTB
SCHEMBL27502709 0.76 PTGS1 (0.47) MMP1MMP3MMP9MMP2FNTA
SCHEMBL8528255 0.76 MME (0.52) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL11324778 0.76 MME (0.52) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL8528253 0.76 MME (0.52) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL4419676 0.76 MME (0.39) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL11324786 0.76 MME (0.52) MMEPDCD1LG2CD274FNTAFNTB
SCHEMBL30308707 0.74 CTSC (0.31) —

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-4583917-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2025-07-16 — — EP disclosed
WO-2024052431-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2024-03-14 — — WO disclosed
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