SCHEMBL30749754

SCHEMBL30749754

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ECE1 P42892 2/20 0.46
ACE P12821 1/20 0.42
PTGS1 P23219 2/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL30288007 0.94 PDCD1LG2 (0.49) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL30287994 0.91 PDCD1LG2 (0.47) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL6810737 0.91 ECE1 (0.48) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL30581568 0.91 ECE1 (0.48) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL6810742 0.91 ECE1 (0.48) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL29723024 0.91 PDCD1LG2 (0.53) PDCD1LG2CD274ECE1ITGB2ICAM1
SCHEMBL30206430 0.91 ECE1 (0.53) PDCD1LG2CD274ECE1ITGB2ICAM1
SCHEMBL29386102 0.91 ECE1 (0.53) PDCD1LG2CD274ECE1ITGB2ICAM1
SCHEMBL6809859 0.89 ECE1 (0.47) PDCD1LG2CD274ECE1ACEPTGS1
SCHEMBL6809855 0.89 ECE1 (0.47) PDCD1LG2CD274ECE1ACEPTGS1

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-117355337-A Protein-macromolecule conjugates and methods of use thereof 奥迪曼药业科技有限公司 2024-01-05 CN disclosed