SCHEMBL30940319

SCHEMBL30940319

COC[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ PKLR P30613 1/20 0.37
▸ CTSK P43235 3/20 0.37
▸ CTSL P07711 3/20 0.37
▸ TNF P01375 2/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 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
SCHEMBL30146700 0.89 PNMT (0.42) PNMTNPC1RAB9AACETGM2
SCHEMBL7520245 0.89 CTSK (0.41) PNMTNPC1RAB9ATGM2ITGB3
SCHEMBL30747802 0.89 CTSK (0.41) PNMTNPC1RAB9ATGM2ITGB3
SCHEMBL6560816 0.89 CTSK (0.41) PNMTNPC1RAB9ATGM2ITGB3
SCHEMBL30940317 0.88 SIRT2 (0.43) PNMTNPC1RAB9AACETGM2
SCHEMBL2549268 0.88 PNMT (0.43) PNMTNPC1RAB9AACETGM2
SCHEMBL2549264 0.88 PNMT (0.43) PNMTNPC1RAB9AACETGM2
SCHEMBL30562072 0.87 CTSK (0.42) PNMTNPC1RAB9AACETGM2
SCHEMBL2234378 0.87 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL6378831 0.87 PPARA (0.41) PNMTNPC1RAB9AACETGM2

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
WO-2024153243-A1 MODIFIED PEPTIDE AS TREM-1 INHIBITOR 武汉人福创新药物研发中心有限公司 2024-07-25 — — WO disclosed
CN-118359676-A Modified peptides as Trem-1 inhibitors 武汉人福创新药物研发中心有限公司 2024-07-19 — — CN disclosed
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