SCHEMBL9542975

SCHEMBL9542975

CCCCCCCCCCCCCCCCO[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
BLM P54132 1/20 0.43
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 9/20 0.43
CA12 O43570 5/20 0.43
CA4 P22748 4/20 0.43
LPAR3 Q9UBY5 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
CA3 P07451 2/20 0.40
CA6 P23280 2/20 0.40

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
SCHEMBL11232260 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL1774885 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL11218891 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL2905917 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL324700 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL36624 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL273330 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL325033 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL11228544 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR
SCHEMBL326031 1.00 ALDH1A1 (0.50) ALDH1A1RECQLGLAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365973-A Middle distillate fuel additive UNION OIL COMPANY OF CALIFORNIA (US) 1982-12-28 US claimed
CN-103476390-B Oil-in-water emulsion composition and method for producing the same 香奈儿香水美妆品公司 2016-11-09 CN disclosed
CN-103476390-A Oil-in-water emulsion composition and method for producing the same CHANEL PARFUMS BEAUTE 2013-12-25 CN disclosed
CN-103347485-A Method for producing composition for external use containing physiologically acceptable salt of tranexamate CHANEL PARFUMS BEAUTE 2013-10-09 CN disclosed
WO-2013093100-A1 ORGANIC NITRATES AS IGNITION ENHANCERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2013-06-27 WO disclosed
US-20130160354-A1 ORGANIC NITRATES AS IGNITION ENHANCERS SHELL OIL COMPANY (US) 2013-06-27 US disclosed
US-20130160354-A1 ORGANIC NITRATES AS IGNITION ENHANCERS SHELL OIL COMPANY (US) 2013-06-27 US disclosed
CN-102686206-A Composition for external use and method for producing the same CHANEL PARFUMS BEAUTE 2012-09-19 CN disclosed
CN-1298818-C Diesel fuel additive and its uses CHINA PETROCHEMICAL CORP (CN) 2007-02-07 CN disclosed
CN-1766066-A Diesel fuel additive and its uses CHINA PETROCHEMICAL CORP (CN) 2006-05-03 CN disclosed
WO-1993008244-A1 FUEL OIL COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1993-04-29 WO disclosed
US-4365973-A Middle distillate fuel additive UNION OIL COMPANY OF CALIFORNIA (US) 1982-12-28 US disclosed
US-4310500-A Method for removing volatile aromatic compounds JOSEF MEISSNER GMBH & CO. (DE) 1982-01-12 US disclosed