SCHEMBL8548868

SCHEMBL8548868

CC(C)C(NC(=O)COc1cccc2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.69
MBTPS1 Q14703 1/20 0.67
CASP8 Q14790 3/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
OGG1 O15527 1/20 0.59
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTSD P07339 1/20 0.52
DAPK1 P53355 1/20 0.52
PIM3 Q86V86 1/20 0.52
CASP6 P55212 2/20 0.52
TSHR P16473 1/20 0.50
TRPM4 Q8TD43 1/20 0.49

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
SCHEMBL7419603 1.00 CASP3 (0.69) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL8544995 0.89 CASP3 (0.60) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL8544998 0.89 CASP3 (0.60) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL8547788 0.87 OGG1 (0.62) CASP3CASP8CASP1CASP7OGG1
SCHEMBL8547790 0.87 OGG1 (0.62) CASP3CASP8CASP1CASP7OGG1
SCHEMBL7417451 0.86 CASP3 (0.62) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL8549121 0.86 MBTPS1 (0.57) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL8549113 0.86 MBTPS1 (0.57) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL5493580 0.85 CASP3 (0.86) CASP3MBTPS1CASP8CASP1CASP7
SCHEMBL5496227 0.82 CASP3 (0.75) CASP3MBTPS1CASP8CASP1CASP7

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