SCHEMBL9800461

SCHEMBL9800461

CC(=O)NC(CCNN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GNPAT O15228 3/20 0.51
FOLH1 Q04609 4/20 0.41
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
ALB P02768 2/20 0.38
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL9800454 1.00 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL648867 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL9800504 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL648868 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL12439670 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL16745724 0.79 GNPAT (0.62) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL19100404 0.77 KDM4E (0.50) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL468749 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL16748603 0.77 MAPT (0.59) SMN1; SMN2MAPTALOX15KDM4ETHRB
SCHEMBL468750 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALOX15KDM4ETHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230037-B1 CYTOPROTECTIVE DERIVATIVES USEFUL IN ISCHEMIC DISEASES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ITALFARMACO S.p.A. (IT) 1991-03-06 EP disclosed