SCHEMBL8582124

SCHEMBL8582124

CC(=O)N[C@H](CC(=O)C(C)(C)C)C(O)=S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GNPAT O15228 1/20 0.33
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8580669 0.85 SMN1; SMN2 (0.32) SMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL16675994 0.85 MAPT (0.53) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL16708422 0.82 KDM4E (0.41) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8582202 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8582123 0.79 KDM4E (0.42) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8582254 0.77 CYP2D6 (0.42) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8581730 0.74 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL30052623 0.72 SMN1; SMN2 (0.69) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL9521985 0.72 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNFKB1KDM4ETHRB
SCHEMBL8581719 0.71 MGAM (0.42) SMN1; SMN2MAPTNFKB1KDM4ETHRB

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
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 EP disclosed