SCHEMBL10606242

SCHEMBL10606242

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
OGG1 O15527 1/20 0.56
CASP3 P42574 3/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DAPK1 P53355 1/20 0.53
PIM3 Q86V86 1/20 0.53
MAPT P10636 2/20 0.50
TRPM4 Q8TD43 1/20 0.50
FOLH1 Q04609 1/20 0.50
POLB P06746 2/20 0.49
G6PD P11413 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
CASP1 P29466 1/20 0.48
PRNP P04156 1/20 0.48

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
SCHEMBL10722072 0.84 OGG1 (0.58) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8544589 0.83 OGG1 (0.60) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8544596 0.83 OGG1 (0.60) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL10609426 0.82 TSHR (0.62) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10609374 0.82 MEN1 (0.60) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL7648460 0.81 C3AR1 (0.53) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL7648470 0.81 C3AR1 (0.53) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8547788 0.80 OGG1 (0.62) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8547790 0.80 OGG1 (0.62) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL7419603 0.78 CASP3 (0.69) ALDH1A1KDM4EHPGDTDP1OGG1

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-0207690-B1 N-SUBSTITUTED GLUTAMIC ACID DERIVATIVE AND PROCESS FOR PRODUCTION AND USE THEREOF SUNTORY LIMITED (JP) 1989-12-20 EP disclosed