SCHEMBL31357420

SCHEMBL31357420

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.54
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ MME P08473 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ LAP3 P28838 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 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
SCHEMBL21828594 0.94 ACE (0.61) ACEMAPTKDM4ETHRBALOX15
SCHEMBL21828595 0.94 ACE (0.61) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30685989 0.90 ACE (0.50) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30311049 0.89 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30288000 0.89 ACE (0.56) ACEMAPTKDM4ETHRBALOX15
SCHEMBL9551443 0.89 ALDH1A1 (0.53) MAPTSLC7A5MMEALDH1A1LAP3
SCHEMBL30193409 0.89 ALDH1A1 (0.53) MAPTSLC7A5MMEALDH1A1LAP3
SCHEMBL27903156 0.89 ALDH1A1 (0.53) MAPTSLC7A5MMEALDH1A1LAP3
SCHEMBL19934813 0.89 ACE (0.59) ACEMAPTKDM4ETHRBALOX15
SCHEMBL30011166 0.89 ACE (0.59) 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
US-12187813-B2 Methods of identifying opioid cyclic peptides FLORIDA ATLANTIC UNIVERSITY BOARD OF TRUSTEES (US) 2025-01-07 — — US claimed
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