SCHEMBL168492

SCHEMBL168492

CCCC(N)(CCO[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
ARG1 P05089 5/20 0.36
ARG2 P78540 5/20 0.36

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
SCHEMBL348479 0.78 MEN1 (0.54) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL168034 0.75 ARG1 (0.46) ALDH1A1ARG1ARG2
SCHEMBL12477487 0.72 CYP2C19 (0.33) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27995083 0.71 NAAA (0.43) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL23010905 0.70 ARG1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL6759253 0.69 MEN1 (0.68) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL6759254 0.69 MEN1 (0.68) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL24163861 0.69 MEN1 (0.68) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL2015797 0.69 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL2013789 0.69 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012088597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR ENHANCEMENT OF PHYSICAL OR MUSCULAR PERFORMANCE AND THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-07-05 WO claimed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO claimed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed