SCHEMBL8770176

SCHEMBL8770176

CC(C)OC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
PTGS2 P35354 2/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 6/20 0.55
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL839776 0.83 PTGS2 (0.83) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL22307858 0.81 ALDH1A1 (0.58) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL11605368 0.81 PTPN7 (0.69) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL656776 0.80 PTGS2 (0.66) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL832731 0.80 PTGS2 (0.61) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL8770416 0.79 ALDH1A1 (0.60) KMT2AMAPTALDH1A1POLBHPGD
SCHEMBL23605758 0.79 MAPT (0.69) KMT2AMAPTALDH1A1CYP1A2HPGD
SCHEMBL6602827 0.79 ALDH1A1 (0.62) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL22307359 0.79 ALDH1A1 (0.55) KMT2APTGS2MAPTALDH1A1POLB
SCHEMBL655716 0.79 PTGS2 (0.60) KMT2APTGS2MAPTALDH1A1POLB

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