SCHEMBL9828880

SCHEMBL9828880

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.47
CTSK P43235 2/20 0.47
MME P08473 2/20 0.45
MAPK1 P28482 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL3663781 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL6249252 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL9829421 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL9829428 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL5224258 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL9317172 0.83 POLB (0.58) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL1461981 0.82 ATM (0.60) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL11491274 0.82 ATM (0.60) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL13506655 0.81 NPSR1 (0.58) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL13387483 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1

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