SCHEMBL29229250

SCHEMBL29229250

CON(C)C(=O)[C@@H](COCc1ccccc1)OC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ CTSS P25774 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35

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
SCHEMBL28529040 0.86 SCN9A (0.53) PPARASCN9APPARGKDM4EALDH1A1
SCHEMBL29229136 0.82 MAOB (0.42) MAOBCA1SLC1A1KMT2ATACR1
SCHEMBL29229134 0.82 MAOB (0.42) MAOBCA1SLC1A1KMT2ATACR1
SCHEMBL28976550 0.79 POLB (0.32) SCN9A
SCHEMBL28533077 0.76 PPARA (0.46) PPARASCN9ACTSSPPARGCA1
SCHEMBL28763879 0.76 PPARA (0.46) PPARASCN9ACTSSPPARGCA1
SCHEMBL2897802 0.75 PPARA (0.67) PPARACTSSPPARGJAK3BTK
SCHEMBL2897805 0.75 PPARA (0.67) PPARACTSSPPARGJAK3BTK
SCHEMBL27580044 0.75 PPARA (0.46) PPARASCN9ACTSSPPARGCA1
SCHEMBL28506240 0.75 POLB (0.33) SCN9AJAK3BTK

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-117683051-A Tetraheterocyclic compound, preparation method thereof, intermediate thereof and application thereof 上海艾力斯医药科技股份有限公司 2024-03-12 — — CN disclosed
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