SCHEMBL9812692

SCHEMBL9812692

O=[N+]([O-])c1ccc(-c2ccccc2Oc2ccccc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HTR7 P34969 1/20 0.48
HSPB1 P04792 2/20 0.46
SCN2A Q99250 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
MAOB P27338 1/20 0.44
APP P05067 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPRC P08575 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43

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
Water SCHEMBL11780560 0.98 ADRA2A (0.49) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL8444172 0.86 NCOA1 (0.58) ALDH1A1LMNAHSPB1POLBMAPK1
SCHEMBL3832194 0.86 ADORA3 (0.56) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL8332373 0.85 ACHE (0.51) ADRA2AADRA2BADRA2CLMNAHSPB1
SCHEMBL8065629 0.83 POLB (0.49) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL28240316 0.82 ALDH1A1 (0.58) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL8065636 0.82 POLB (0.51) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL8065631 0.82 POLB (0.51) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL9087468 0.81 HSPB1 (0.59) ALDH1A1LMNAHSPB1SCN2AMAPK1
SCHEMBL27713776 0.81 HSPB1 (0.66) ALDH1A1LMNAHSPB1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945467-A Biological mucosal model and method for evaluating retentivity of mucosal protective agent 富士胶片株式会社 2022-08-26 CN disclosed
EP-0126950-B1 METHOD FOR MAKING AROMATIC ETHERS AND CATALYST USED IN SUCH METHOD GENERAL ELECTRIC COMPANY (US) 1991-07-31 EP disclosed
EP-0260923-A2 Temperature sensing composition MEDICAL INDICATORS (a limited partnership under US law) (US) 1988-03-23 EP disclosed
US-4605745-A PHASE TRANSFER CATALYSTS; AROMATIC ETHERS IN IMPROVED YIELDS GENERAL ELECTRIC COMPANY (US) 1986-08-12 US disclosed
US-4513141-A BY DISPLACING REACTIVE RADICALS ON AROMATIC NUCLEUS GENERAL ELECTRIC COMPANY (US) 1985-04-23 US disclosed
EP-0126950-A2 Method for making aromatic ethers and catalyst used in such method GENERAL ELECTRIC COMPANY (US) 1984-12-05 EP disclosed