SCHEMBL8770335

SCHEMBL8770335

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 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
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.37
F2 P00734 1/20 0.37
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8770184 0.90 ITGB3 (0.43) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770298 0.86 MAPT (0.39) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770321 0.85 MCHR1 (0.41) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770283 0.85 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8770268 0.77 MAPT (0.39) MCHR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8770225 0.76 ITGB3 (0.49) MCHR1MAPTKMT2AMEN1F2
SCHEMBL8770302 0.74 F2 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8770183 0.73 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8770197 0.73 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8770627 0.73 EPHX2 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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