SCHEMBL28979822

SCHEMBL28979822

CC(=O)NC(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL28979819 1.00 GNPAT (0.41) GNPATMAPTKDM4ETHRBALOX15
SCHEMBL29401619 1.00 GNPAT (0.41) GNPATMAPTKDM4ETHRBALOX15
SCHEMBL31023862 0.86 CYP2D6 (0.44) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL1235161 0.86 CTSK (0.49) CTSSCTSKCA1CA2CA7
SCHEMBL31023961 0.86 CYP2D6 (0.44) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4279525 0.86 CTSK (0.49) CTSSCTSKCA1CA2CA7
SCHEMBL1235160 0.86 CTSK (0.49) CTSSCTSKCA1CA2CA7
SCHEMBL30424025 0.85 CTSK (0.49) GNPATALDH1A1CTSSCTSKCA1
SCHEMBL30781711 0.84 CYP1A2 (0.35) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6948884 0.83 FOLH1 (0.42) GNPATMAPTKDM4ETHRBALOX15

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-115873069-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-03-31 CN disclosed