SCHEMBL8770253

SCHEMBL8770253

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.49
RAB9A P51151 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSPB1 P04792 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.39
NR1D1 P20393 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8770708 0.88 PTGDR2 (0.47) PTGDR2ALDH1A1HTTMAPTLMNA
SCHEMBL12838161 0.85 KMT2A (0.49) RAB9AALDH1A1HTTL3MBTL1GAA
SCHEMBL6984076 0.85 MAPT (0.59) RAB9AALDH1A1GAAMAPTLMNA
SCHEMBL13623312 0.85 PTGDR2 (0.44) RAB9APTGDR2ALDH1A1HTTMAPT
SCHEMBL4861216 0.83 S1PR4 (0.53) S1PR4RAB9APTGDR2ALDH1A1GAA
SCHEMBL2947864 0.81 LMNA (0.45) RAB9APTGDR2ALDH1A1GAAMAPT
SCHEMBL6609945 0.79 MTNR1A (0.49) RAB9AALDH1A1HTTL3MBTL1GAA
SCHEMBL24934106 0.79 AAK1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8770380 0.79 AAK1 (0.40) PTGDR2ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL24933585 0.79 AAK1 (0.57) RAB9APTGDR2ALDH1A1HTTL3MBTL1

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