SCHEMBL8533255

SCHEMBL8533255

O=C(c1ccccc1)C1C=CC(O)([N+](=O)[O-])C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PRMT1 Q99873 1/20 0.37
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
HBB P68871 1/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL3082114 0.85 CES2 (0.39) CES2CES1PRMT1HTTMAPT
SCHEMBL10586210 0.84 CES2 (0.38) CES2CES1PRMT1HTTMAPT
SCHEMBL15398938 0.83 PARP1 (0.41) MAPTEPHX1SMN1; SMN2POLBMEN1
SCHEMBL6512450 0.83 CES1 (0.37) CES2CES1PRMT1HTTMAPT
SCHEMBL136598 0.79 MAPT (0.41) CES2CES1HTTMAPTALOX15
SCHEMBL3468482 0.79 TSHR (0.35) CES2CES1HTTMAPTALOX15
SCHEMBL337965 0.78 TSHR (0.38) CES2CES1HTTMAPTALOX15
SCHEMBL8533854 0.78 CES2 (0.33) CES2CES1HTTMAPTALOX15
SCHEMBL9262914 0.77 MEN1 (0.42) MAPTEPHX1SMN1; SMN2POLBMEN1
SCHEMBL8531781 0.77 HTT (0.35) CES2CES1PRMT1HTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822221-A2 Novel light stabilisers based on sterically hindered amines Clariant GmbH (DE) 1998-02-04 EP disclosed
US-4339568-A Aromatic polymers containing ketone groups UNION CARBIDE CORPORATION (US) 1982-07-13 US disclosed