SCHEMBL9830481

SCHEMBL9830481

COc1cccc(C(=O)NCC(O)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MMP13 P45452 2/20 0.57
GPR139 Q6DWJ6 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL30098939 0.86 MMP13 (0.59) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL30098920 0.86 MMP13 (0.59) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL1769592 0.85 NPC1 (0.57) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL1769588 0.85 NPC1 (0.57) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL30098900 0.82 ALDH1A1 (0.58) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL5672356 0.80 HPGD (0.72) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL30099051 0.80 MMP13 (0.56) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL47353 0.79 MMP13 (0.66) NPC1RAB9AMMP13SMN1; SMN2GAA
SCHEMBL5869864 0.79 CTSL (0.53) NPC1RAB9AMMP13GPR139SMN1; SMN2
SCHEMBL5869856 0.79 CTSL (0.53) NPC1RAB9AMMP13GPR139SMN1; SMN2

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