Nitric Acid

Nitric Acid

SCHEMBL9874342

COc1ccc(CCCO)cc1.O=[N+]([O-])O

nearest known ligand 0.54

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 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.54
ALOX5 P09917 1/20 0.50
CYP4A11 Q02928 1/20 0.50
PPARA Q07869 1/20 0.49
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
F2RL1 P55085 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
POLB P06746 1/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL79113 0.88 CALM1 (0.68) CALM1ALOX5CYP4A11PPARAIGF1R
SCHEMBL24197389 0.82 MAOB (0.61) CALM1ALOX5CYP4A11PPARAIGF1R
SCHEMBL1171813 0.82 CALM1 (0.66) CALM1ALOX5CYP4A11IGF1RALOX15
SCHEMBL8413383 0.80 CALM1 (0.63) CALM1ALOX5CYP4A11IGF1RALOX15
SCHEMBL8862032 0.80 CALM1 (0.63) CALM1ALOX5CYP4A11IGF1RALOX15
SCHEMBL4740749 0.80 CALM1 (0.63) CALM1ALOX5CYP4A11IGF1RALOX15
SCHEMBL7051536 0.79 KCNJ1 (0.54) CALM1ALOX5IGF1RALOX15KCNJ1
SCHEMBL29886710 0.78 LTA4H (0.73) CALM1MAPTRAB9APOLBLTA4H
Hydrocinnamyl Alcohol SCHEMBL9875250 0.77 TDP1 (0.52) MAPTRAB9ALTA4HEPHX2
SCHEMBL8957360 0.77 CALM1 (0.50) CALM1ALOX5IGF1RALOX15KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed