SCHEMBL8770708

SCHEMBL8770708

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 4/20 0.42
POLB P06746 2/20 0.41
PTGS2 P35354 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL12838161 0.93 KMT2A (0.49) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8770253 0.88 S1PR4 (0.49) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13623312 0.88 PTGDR2 (0.44) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6984076 0.88 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2947864 0.85 LMNA (0.45) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7363912 0.84 PTGS2 (0.57) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL655716 0.81 PTGS2 (0.60) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13215543 0.81 POLB (0.42) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13215153 0.80 POLB (0.57) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6478841 0.80 CHRNB2 (0.52) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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