SCHEMBL30288000

SCHEMBL30288000

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.56
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ MME P08473 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LAP3 P28838 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL30311049 1.00 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL29721145 0.98 ACE (0.54) ACEMAPTKDM4ETHRBALOX15
SCHEMBL21828595 0.95 ACE (0.61) ACEMAPTKDM4ETHRBALOX15
SCHEMBL21828594 0.95 ACE (0.61) ACEMAPTKDM4ETHRBALOX15
SCHEMBL31720932 0.94 ACE (0.51) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30010902 0.94 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30011110 0.94 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30010855 0.94 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30010989 0.94 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL31152880 0.92 ACE (0.48) ACEMAPTKDM4ETHRBALOX15

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-109475640-B Mixed carrier for nucleic acid carried article 库瑞瓦格欧洲公司 2023-03-10 — — CN disclosed
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