SCHEMBL4337680

SCHEMBL4337680

COc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 7/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 4/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 5/20 0.58
RECQL P46063 1/20 0.58
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL30825381 1.00 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL2156946 0.88 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL3824914 0.88 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL16957612 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL20285788 0.87 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL2946181 0.87 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL176357 0.87 TTR (0.68) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL22926021 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL5518774 0.85 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL6742909 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1KMT2A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023196-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS PACKAGED IN A UV RESISTANT CONTAINER THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023195-A1 MULTI-PURPOSE LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP claimed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
CN-112321440-B Amino phenyl ketone compound and preparation method and application thereof 南方医科大学 2021-09-24 CN disclosed
CN-112321440-A Amino phenyl ketone compound and preparation method and application thereof 南方医科大学 2021-02-05 CN disclosed
EP-2776489-B1 EPOXY RESIN CURING AGENT WITH AROMATIC AMINO GROUPS SIKA TECH AG (CH) 2019-03-27 EP disclosed
CN-106242991-A A kind of method of synthesis 3 amino 4 p-methoxyacetanilides 江苏大学 2016-12-21 CN disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
US-3992537-A CNS DEPRESSANTS, NEUROLEPTICS, ANTICHOLESTEREMICS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 US disclosed
US-3937708-A CNS-DEPRESSANTS, NEUROLEPTICS, ANALGESICS, ANTIPHLOGISTICS, SPASMOLYTICS, BRONCHOLYTICS, HYPOTENSIVES, ANTICHOLESTEREMICS BOEHRINGER INGELHEIM GMBH (DT) 1976-02-10 US disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 US disclosed