Nitric Acid

Nitric Acid

SCHEMBL8147351

C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 1/20 0.60
ADH1B P00325 3/20 0.48
ADH1C P00326 3/20 0.48
ADH1A P07327 3/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 2/20 0.44
EPHX1 P07099 6/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 1/20 0.42
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL247273 1.00 ALDH1A1 (0.60) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL2498301 0.87 ALDH1A1 (0.63) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657086 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL21375316 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL1000021 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771540 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24839013 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL25122871 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL20733078 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771539 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A

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
US-6028160-A A BLENDS CONSISTING OF POLYETHYLENE, STARCH, POLYLACTIC ACID OR POLYCAPROLACTONE, AND A POLYESTER COPOLYMER OF BUTANEDIOL, ADIPIC ACID, SUCCINIC ACID, AND TEREPHTHALIC ACID; BULK FILLER PACKING FORMS FOR PACKAGING APPLICATIONS CORTEC CORPORATION (US) 2000-02-22 US disclosed