SCHEMBL9828860

SCHEMBL9828860

CCCCCN[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 2/20 0.44
PLA2G2A P14555 1/20 0.44
PLA2G5 P39877 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 6/20 0.42
CA2 P00918 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL27905915 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL26122722 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL17939720 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
Water SCHEMBL27944924 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL11796686 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL11800511 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL28031785 0.96 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL28032316 0.96 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL4704256 0.94 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5
SCHEMBL4704258 0.94 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPK1PLA2G2APLA2G5

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed