SCHEMBL8544995

SCHEMBL8544995

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.60
CTSD P07339 1/20 0.56
OGG1 O15527 1/20 0.55
MBTPS1 Q14703 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
CASP8 Q14790 1/20 0.52
TSHR P16473 1/20 0.50
DAPK1 P53355 1/20 0.49
PIM3 Q86V86 1/20 0.49
POLB P06746 2/20 0.47
TRPM4 Q8TD43 1/20 0.47

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
SCHEMBL8544998 1.00 CASP3 (0.60) CASP3CTSDOGG1MBTPS1ALDH1A1
SCHEMBL7419603 0.89 CASP3 (0.69) CASP3CTSDOGG1MBTPS1ALDH1A1
SCHEMBL8548868 0.89 CASP3 (0.69) CASP3CTSDOGG1MBTPS1ALDH1A1
SCHEMBL8547954 0.87 CASP3 (0.50) CASP3CTSDOGG1MBTPS1KDM4E
SCHEMBL8547949 0.87 CASP3 (0.50) CASP3CTSDOGG1MBTPS1KDM4E
SCHEMBL8547790 0.84 OGG1 (0.62) CASP3OGG1ALDH1A1KDM4EHPGD
SCHEMBL8547788 0.84 OGG1 (0.62) CASP3OGG1ALDH1A1KDM4EHPGD
SCHEMBL17996008 0.81 CYP2C9 (0.57) MBTPS1ALDH1A1KDM4EHPGDMEN1
SCHEMBL17969279 0.79 CTSD (0.88) CTSD
SCHEMBL17969280 0.79 CTSD (0.88) CTSD

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