Nitric Acid

Nitric Acid

SCHEMBL7752143

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 1/20 0.46
KDM5A P29375 3/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
DNM1 Q05193 3/20 0.42
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
MCHR1 Q99705 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
Nitric Acid SCHEMBL11311996 1.00 ALDH1A1 (0.48) ALDH1A1KCNH2KDM5APHF8KDM4C
Nitric Acid SCHEMBL28881964 1.00 ALDH1A1 (0.48) ALDH1A1KCNH2KDM5APHF8KDM4C
Nitric Acid SCHEMBL10905038 1.00 ALDH1A1 (0.48) ALDH1A1KCNH2KDM5APHF8KDM4C
Nitric Acid SCHEMBL28881954 1.00 ALDH1A1 (0.48) ALDH1A1KCNH2KDM5APHF8KDM4C
Nitric Acid SCHEMBL4562004 0.91 ALDH1A1 (0.44) ALDH1A1KCNH2KDM5APHF8KDM4C
Hexadecane SCHEMBL380459 0.85 ALDH1A1 (0.62) ALDH1A1CES2CES1
Dodecane SCHEMBL29645029 0.85 ALDH1A1 (0.62) ALDH1A1CES2CES1
Octane SCHEMBL8954452 0.85 ALDH1A1 (0.62) ALDH1A1CES2CES1
Octane SCHEMBL9793297 0.85 ALDH1A1 (0.62) ALDH1A1CES2CES1
Nonane SCHEMBL27883833 0.85 ALDH1A1 (0.62) ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103004351-B Fertilization method for controlling nitrate content of leafy vegetables UNIV SOOCHOW 2014-07-02 CN disclosed
CN-103004351-A Fertilization method for controlling nitrate content of leafy vegetables UNIV SOOCHOW 2013-04-03 CN disclosed
EP-0755938-B1 Ligated polyoxometalates and method for their synthesis GOODRICH CO B F (US) 2001-03-07 EP disclosed
EP-0755938-A1 Ligated polyoxometalates and method for their synthesis THE B.F. GOODRICH COMPANY (US) 1997-01-29 EP disclosed
US-5585510-A COMPLEXES; IMPROVED SOLUBILITY IN ORGANIC SOLVENTS THE B. F. GOODRICH COMPANY (US) 1996-12-17 US disclosed