SCHEMBL29238562

SCHEMBL29238562

C[S+]([O-])c1ccc(C(SCC(NC(=O)OC2c3ccccc3-c3ccccc32)C(=O)O)c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.42
▸ MDM4 O15151 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MDM2 Q00987 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ SLC17A5 Q9NRA2 1/20 0.33
▸ PPARD Q03181 2/20 0.32
▸ TDO2 P48775 1/20 0.31

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
SCHEMBL30389933 1.00 ACE (0.42) ACEMDM4TP53MDM2KDM4E
SCHEMBL25081912 0.87 MDM4 (0.49) ACEMDM4TP53MDM2SLC17A5
SCHEMBL29238561 0.80 CASP3 (0.37) MDM4TP53MDM2IDO1TDO2
SCHEMBL29238560 0.79 MDM4 (0.42) MDM4TP53MDM2SLC17A5
SCHEMBL25081617 0.79 MDM4 (0.42) MDM4TP53MDM2SLC17A5
SCHEMBL25081616 0.77 MDM2 (0.44) MDM4TP53MDM2SLC17A5
SCHEMBL20456895 0.74 POLB (0.44) ACEMDM4TP53IDO1TDO2
SCHEMBL29398288 0.73 MDM4 (0.54) ACEMDM4TP53MDM2SLC17A5
SCHEMBL29402061 0.73 MDM4 (0.54) ACEMDM4TP53MDM2SLC17A5
SCHEMBL25081913 0.72 ACE (0.41) ACEKDM4EALDH1A1MAPTRAB9A

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-117957021-A Process for preparing pegylated adrenomedullin, intermediates therefor and uses thereof 拜耳公司 2024-04-30 — — CN disclosed
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