SCHEMBL8549121

SCHEMBL8549121

CC(C)[C@H](NC(=O)COc1cccc2cnccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.57
CASP3 P42574 5/20 0.54
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
CASP8 Q14790 2/20 0.52
CASP6 P55212 1/20 0.52
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
KCNA3 P22001 1/20 0.46
NR3C1 P04150 3/20 0.45
MAPT P10636 1/20 0.44
OGG1 O15527 1/20 0.43
GPR132 Q9UNW8 2/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL8549113 1.00 MBTPS1 (0.57) MBTPS1CASP3CASP1CASP7CASP8
SCHEMBL8547949 0.90 CASP3 (0.50) MBTPS1CASP3CASP1CASP7CASP8
SCHEMBL8547954 0.90 CASP3 (0.50) MBTPS1CASP3CASP1CASP7CASP8
SCHEMBL8546456 0.89 CASP3 (0.54) CASP3CASP1CASP7CASP8CASP6
SCHEMBL8546449 0.89 CASP3 (0.54) CASP3CASP1CASP7CASP8CASP6
SCHEMBL8548868 0.86 CASP3 (0.69) MBTPS1CASP3CASP1CASP7CASP8
SCHEMBL7419603 0.86 CASP3 (0.69) MBTPS1CASP3CASP1CASP7CASP8
SCHEMBL3795189 0.83 CASP3 (0.52) CASP3CASP1CASP7CASP8CASP6
SCHEMBL8543509 0.81 CASP3 (0.51) CASP3CASP1CASP7CASP8CASP6
SCHEMBL8543498 0.81 CASP3 (0.51) CASP3CASP1CASP7CASP8CASP6

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