SCHEMBL8547788

SCHEMBL8547788

C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
HPGD P15428 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CASP3 P42574 4/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HSD17B10 Q99714 1/20 0.54
DAPK1 P53355 1/20 0.54
PIM3 Q86V86 1/20 0.54
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
TRPM4 Q8TD43 1/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL8547790 1.00 OGG1 (0.62) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8548868 0.87 CASP3 (0.69) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL7419603 0.87 CASP3 (0.69) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8546449 0.85 CASP3 (0.54) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8546456 0.85 CASP3 (0.54) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8544998 0.84 CASP3 (0.60) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8544995 0.84 CASP3 (0.60) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL6846901 0.83 OGG1 (0.72) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL10722072 0.81 OGG1 (0.58) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL10606242 0.80 ALDH1A1 (0.58) OGG1ALDH1A1KDM4EHPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574135-B1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORP (JP) 1998-11-18 EP disclosed
US-5644028-A Process for producing peptide derivatives and salts therefor JAPAN ENERGY CORPORATION (JP) 1997-07-01 US disclosed
EP-0574135-A1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORPORATION (JP) 1993-12-15 EP disclosed