SCHEMBL23935852

SCHEMBL23935852

COc1cc(CC(N)C(=O)O)ccc1C(=O)CNO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.48
LDHA P00338 1/20 0.48
PTGS1 P23219 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TPH1 P17752 3/20 0.44

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
SCHEMBL23935517 0.85 SLC7A5 (0.50) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL22108677 0.85 SLC7A5 (0.50) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL23935830 0.84 LDHA (0.47) LDHAALOX15TDP1SMN1; SMN2LMNA
SCHEMBL22108691 0.82 SLC7A5 (0.56) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL22444859 0.82 SLC7A5 (0.56) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL13957553 0.80 LDHA (0.56) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL159001 0.80 LDHA (0.73) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL159000 0.80 LDHA (0.73) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL31242504 0.80 LDHA (0.73) SLC7A5LDHAPTGS1KDM4EUSP2
SCHEMBL30013904 0.80 LDHA (0.73) SLC7A5LDHAPTGS1KDM4EUSP2

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
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed