SCHEMBL29019459

SCHEMBL29019459

CC(C)(C)Oc1ccc(C[C@@](N)(C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ FABP5 Q01469 3/20 0.39
▸ FABP7 O15540 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PTPN1 P18031 1/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL29019435 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL28356620 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL1311053 0.89 FABP5 (0.44) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL5264305 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL27522574 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL29019464 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL7124561 0.86 KMT2A (0.39) KMT2AFABP5FABP7PPARGPPARA
SCHEMBL28884667 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL28884665 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HIF1AKMT2AFABP5FABP7
SCHEMBL16634841 0.84 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AKMT2AFABP5FABP7

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 — — CN disclosed
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