SCHEMBL9561790

SCHEMBL9561790

CC(c1ccccc1C(=O)O)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
HPGD P15428 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 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
SCHEMBL28051551 0.81 ALDH1A1 (0.48) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL29657201 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATSHR
Benzene SCHEMBL28132022 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATSHR
Hydrogen Peroxide SCHEMBL9514730 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL254364 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL134091 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL4686655 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AGAATSHR
Ammonia Solution, Strong SCHEMBL11877644 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL28432760 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15KMT2AGAATSHR
SCHEMBL10503569 0.76 LMNA (0.44) ALDH1A1ALOX15KMT2AGAATSHR

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
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP disclosed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US disclosed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP disclosed