SCHEMBL8845829

SCHEMBL8845829

CC(=O)OCc1cn2c(n1)SCC2.OCc1cn2c(n1)SCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 8/20 0.40
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
GAA P10253 3/20 0.35

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
SCHEMBL7186322 0.95 KMT2A (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7181038 0.83 MAPT (0.49) KMT2AMEN1NPC1RAB9AMAPT
Lithium Ion SCHEMBL7175365 0.79 MAPT (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7200327 0.75 MAPT (0.40) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3458525 0.68 NPC1 (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7180163 0.68 NPC1 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL19185513 0.67 MAPT (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7184573 0.67 ELANE (0.35) NPC1ALDH1A1
SCHEMBL17196022 0.65 MAPT (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9840784 0.65 MAPT (0.50) KMT2AMEN1NPC1RAB9AMAPT

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-0758240-A1 PHARMACEUTICAL FORMULATIONS CONTAINING A BETA-LACTAMASE INHIBITING PENEM IN COMBINATION WITH A BETA-LACTAM ANTIBIOTIC AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed