SCHEMBL9829428

SCHEMBL9829428

CCCCOC(=O)N[C@H](C(=O)O)C(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 2/20 0.50
CTSK P43235 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ASAH1 Q13510 1/20 0.47
ACER2 Q5QJU3 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
FAAH O00519 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 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
SCHEMBL9829421 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL6249252 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL3663781 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL9828880 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL12067906 0.86 ATM (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL9993761 0.86 ATM (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL5224258 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL7357011 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL1461981 0.82 ATM (0.60) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL11491274 0.82 ATM (0.60) SMN1; SMN2NPC1RAB9ALMNAPOLB

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