SCHEMBL24899422

SCHEMBL24899422

CCC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PSMB5 P28074 1/20 0.51
▸ MME P08473 5/20 0.50
▸ ACE P12821 5/20 0.50
▸ CPA1 P15085 5/20 0.50
▸ ACE2 Q9BYF1 5/20 0.50
▸ CTSS P25774 4/20 0.50
▸ CTSK P43235 3/20 0.50
▸ CTSB P07858 2/20 0.50
▸ CTSL P07711 1/20 0.50
▸ OPRD1 P41143 5/20 0.48
▸ OPRM1 P35372 4/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ GRIA1 P42261 1/20 0.47

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
SCHEMBL7903892 0.82 MME (0.66) MMEACECPA1ACE2
SCHEMBL7901632 0.82 MME (0.66) MMEACECPA1ACE2
SCHEMBL24760230 0.82 CTSS (0.55) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL23937555 0.82 CTSS (0.55) CTSSCTSKCTSBCTSLOPRD1
SCHEMBL14416295 0.82 PSMB5 (0.48) L3MBTL1PSMB5MMEACECPA1
SCHEMBL13886178 0.81 PSMB5 (0.61) L3MBTL1PSMB5MMEACECPA1
SCHEMBL24899372 0.80 HPGDS (0.56) PSMB5MMEACECPA1ACE2
SCHEMBL14416298 0.80 CYP1A2 (0.51) MMEACECPA1ACE2CTSK
SCHEMBL27761115 0.79 HDAC1 (0.69) L3MBTL1
SCHEMBL23154438 0.79 L3MBTL1 (0.68) L3MBTL1PSMB5CTSSCTSKCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 — — WO disclosed
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