SCHEMBL4077155

SCHEMBL4077155

COC(=O)[C@H](CS)NCP(=O)(O)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4555303 0.70 MMP1 (0.41)
SCHEMBL6684576 0.69 GGT1 (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10296027 0.69
SCHEMBL8681998 0.69
SCHEMBL110065 0.69
SCHEMBL4986698 0.68 KDM4E (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27877361 0.68 MEN1 (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28373781 0.68 CA1 (0.43) MAPTALOX15
SCHEMBL17377988 0.68 SMN1; SMN2 (0.33) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL23201940 0.67 SMN1; SMN2 (0.39) KDM4EMAPTTHRBALOX15NFKB1

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
JP-2009526755-A 2009-07-23 JP claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed