SCHEMBL8533854

SCHEMBL8533854

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
EPHX1 P07099 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
RAB9A P51151 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL8533255 0.78 CES2 (0.38) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL11227120 0.77 HTT (0.36) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL3082114 0.76 CES2 (0.39) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL10586210 0.75 CES2 (0.38) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL6512450 0.74 CES1 (0.37) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL3468482 0.70 TSHR (0.35) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL6903621 0.70 CES2 (0.33) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL136598 0.70 MAPT (0.41) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL337965 0.69 TSHR (0.38) CES2CES1ALDH1A1MAPTPOLB
SCHEMBL4035521 0.67 ALDH1A1 (0.39) CES2CES1ALDH1A1MAPTPOLB

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 1 patent. 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