SCHEMBL8770331

SCHEMBL8770331

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
F7 P08709 5/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 3/20 0.39
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT1 Q99873 1/20 0.35
KLK1 P06870 2/20 0.35
KLK5 Q9Y337 2/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL8770309 0.91 ALDH1A1 (0.37) ITGB3ITGA2BITGB1ITGA4MAPT
SCHEMBL8770391 0.86 CYP19A1 (0.38) ITGB1ITGA4MAPTMEN1NPC1
SCHEMBL8770327 0.86 NPC1 (0.43) F2PRSS1ITGB1ITGA4NPC1
SCHEMBL8770417 0.81 NPC1 (0.44) F2F7F10PRSS1ITGB3
SCHEMBL8770192 0.80 ITGB3 (0.51) F2F7F10PRSS1ITGB3
SCHEMBL8770215 0.77 NPC1 (0.43) ITGB1ITGA4MAPTMEN1NPC1
SCHEMBL8770268 0.74 MAPT (0.39) F2F10ITGB3ITGA2BMAPT
SCHEMBL8770248 0.72 NPC1 (0.42) ITGB1ITGA4MEN1NPC1RAB9A
SCHEMBL8770257 0.72 NPC1 (0.44) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL8770576 0.71 P4HTM (0.45) F2F10ITGB3ITGA2BMAPT

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