SCHEMBL30287992

SCHEMBL30287992

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
MME P08473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 5/20 0.40
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
ALDH1A1 P00352 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.39
CTSD P07339 2/20 0.39
LAP3 P28838 2/20 0.39

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
SCHEMBL30287989 1.00 ACE (0.48) ACEMMEKDM4EMAPTTHRB
SCHEMBL30288008 1.00 ACE (0.48) ACEMMEKDM4EMAPTTHRB
SCHEMBL30288018 0.93 ACE (0.54) ACEMMEKDM4EMAPTTHRB
SCHEMBL30011640 0.92 ALDH1A1 (0.47) MMEMAPTBACE1ALDH1A1BACE2
SCHEMBL29366355 0.92 ALDH1A1 (0.47) MMEMAPTBACE1ALDH1A1BACE2
SCHEMBL30288032 0.92 ACE (0.56) ACEMMEKDM4EMAPTTHRB
SCHEMBL30287987 0.92 ACE (0.56) ACEMMEKDM4EMAPTTHRB
SCHEMBL30288004 0.92 ACE (0.56) ACEMMEKDM4EMAPTTHRB
SCHEMBL30288030 0.90 ACE (0.48) ACEMMEBACE1FNTAFNTB
SCHEMBL30011243 0.90 FNTA (0.48) ACEBACE1FNTAFNTBBACE2

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