SCHEMBL8770713

SCHEMBL8770713

COc1c([N+](=O)[O-])ccc(C(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TPMT P51580 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35
MET P08581 1/20 0.35
ABCB1 P08183 1/20 0.35
VCAM1 P19320 1/20 0.35
NR3C2 P08235 1/20 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
SCHEMBL7363915 0.82 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2ALDH1A1TDP1TPMT
SCHEMBL1185665 0.82 TSHR (0.48) KMT2ASMN1; SMN2ALDH1A1TDP1NPSR1
SCHEMBL7284626 0.78 TDP1 (0.42) KMT2AALDH1A1TDP1NPSR1MAPT
SCHEMBL6232015 0.77 GPR35 (0.42) ALDH1A1NPSR1TSHRMAPTHTT
SCHEMBL19782588 0.76 TDP1 (0.48) KMT2ASMN1; SMN2ALDH1A1TDP1MAPT
SCHEMBL23273444 0.75 NPSR1 (0.36) ALDH1A1TDP1NPSR1TSHRMAPT
SCHEMBL5390806 0.74 NPSR1 (0.35) KMT2ASMN1; SMN2GSTP1GSTM2ALDH1A1
SCHEMBL17374964 0.74 TDP1 (0.44) KMT2AALDH1A1TDP1NPSR1TSHR
SCHEMBL31150407 0.73 ALDH1A1 (0.53) KMT2ASMN1; SMN2ALDH1A1TDP1NPSR1
SCHEMBL4748764 0.73 ALDH1A1 (0.53) KMT2ASMN1; SMN2ALDH1A1TDP1NPSR1

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