SCHEMBL23190908

SCHEMBL23190908

COC(=O)CCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N3c4ccc(C(=O)OC)cc4OC3C)c(O)c2OC(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ HTT P42858 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL21137817 0.81 GAA (0.42) GAAHDAC1MAPTLMNAMEN1
SCHEMBL17779609 0.68 MAPT (0.41) HDAC1MAPTMEN1KMT2AALDH1A1
SCHEMBL21138155 0.68 EP300 (0.48) HDAC1MAPTLMNAMEN1KMT2A
SCHEMBL30625925 0.67 LMNA (0.47) GAAMAPTLMNAMEN1KMT2A
SCHEMBL17775442 0.67 ALDH1A1 (0.47) GAAHDAC1MAPTLMNAMEN1
SCHEMBL16371049 0.66 MAPT (0.48) GAAHDAC1MAPTLMNAALDH1A1
SCHEMBL30625922 0.65 HDAC3 (0.48) HDAC1MAPTMEN1KMT2AHTT
SCHEMBL20786981 0.64 MITF (0.42) GAAHDAC1MAPTLMNAMEN1
SCHEMBL20787640 0.64 NPC1 (0.49) GAAMAPTLMNAMEN1KMT2A
SCHEMBL17795709 0.63 EP300 (0.51) HDAC1

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
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 — — EP disclosed
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