SCHEMBL30940317

SCHEMBL30940317

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TGM2 P21980 2/20 0.43
▸ PNMT P11086 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ TLR2 O60603 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL9654834 0.95 SIRT2 (0.48) SIRT2SIRT1CTSKTGM2ACE
SCHEMBL23327018 0.95 SIRT2 (0.48) SIRT2SIRT1CTSKTGM2ACE
SCHEMBL9654831 0.95 SIRT2 (0.48) SIRT2SIRT1CTSKTGM2ACE
SCHEMBL30146700 0.92 PNMT (0.42) SIRT2SIRT1CTSKTGM2PNMT
SCHEMBL2551608 0.91 FOLH1 (0.45) TGM2PNMTACE
SCHEMBL2551604 0.91 FOLH1 (0.45) TGM2PNMTACE
SCHEMBL28030109 0.91 TLR2 (0.45) SIRT2SIRT1TGM2PNMTACE
SCHEMBL9385177 0.90 FNTA (0.46) CTSKTGM2CTSL
SCHEMBL22804121 0.90 FNTA (0.46) CTSKTGM2CTSL
SCHEMBL27911668 0.90 TGM2 (0.40) SIRT2SIRT1TGM2PNMTACE

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
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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