SCHEMBL8770184

SCHEMBL8770184

Cc1cc(OCC(=O)OC(C)C)ccc1NC(=O)NC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
F10 P00742 5/20 0.43
F2 P00734 4/20 0.43
PLAU P00749 3/20 0.43
PLAT P00750 2/20 0.43
MCHR1 Q99705 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 2/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL8770335 0.90 MCHR1 (0.41) F2MCHR1MAPTNPC1RAB9A
SCHEMBL8770225 0.87 ITGB3 (0.49) ITGB3ITGA2BF10F2PLAU
SCHEMBL8770268 0.86 MAPT (0.39) ITGB3ITGA2BF10F2PLAU
SCHEMBL8770321 0.85 MCHR1 (0.41) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770302 0.85 F2 (0.49) ITGB3ITGA2BF10F2PLAU
SCHEMBL8770298 0.77 MAPT (0.39) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770283 0.74 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8770227 0.73 NPC1 (0.51) ITGB3ITGA2BF10F2PLAU
SCHEMBL8770638 0.73 NPC1 (0.51) ITGB3ITGA2BF10F2PLAU
SCHEMBL8770242 0.73 EPHX2 (0.51) ITGB3ITGA2BF10F2PLAU

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