SCHEMBL8770309

SCHEMBL8770309

CC(C)(C)OCOc1cc(NC(=O)NC(=O)c2ccc(C(N)=S)cc2)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
ITGB1 P05556 3/20 0.36
ITGA4 P13612 2/20 0.36
MAPT P10636 6/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SIRT1 Q96EB6 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NAMPT P43490 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33

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
SCHEMBL8770331 0.91 F2 (0.39) ALDH1A1ITGB1ITGA4MAPTHSD17B10
SCHEMBL8770391 0.86 CYP19A1 (0.38) ALDH1A1ITGB1ITGA4MAPTNPC1
SCHEMBL8770215 0.86 NPC1 (0.43) ALDH1A1GAAITGB1ITGA4MAPT
SCHEMBL8770257 0.81 NPC1 (0.44) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL8770327 0.77 NPC1 (0.43) ITGB1ITGA4NPC1RAB9AS1PR1
SCHEMBL8770298 0.74 MAPT (0.39) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL8770248 0.72 NPC1 (0.42) ITGB1ITGA4NPC1RAB9AMEN1
SCHEMBL8770417 0.72 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53ITGB3
SCHEMBL8770289 0.71 P4HTM (0.45) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL8770183 0.71 NPC1 (0.51) ALDH1A1MAPTHSD17B10NPC1RAB9A

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed