SCHEMBL8492728

SCHEMBL8492728

CCOC=C(C(C)=O)C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ GAA P10253 2/20 0.44
▸ CTSD P07339 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ GLO1 Q04760 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL8492725 1.00 ALDH1A1 (0.44) ALDH1A1GAACTSDSMN1; SMN2HPGD
SCHEMBL10861577 0.88 ALDH1A1 (0.49) ALDH1A1GAACTSDSMN1; SMN2HPGD
SCHEMBL8488108 0.85 ALDH1A1 (0.41) ALDH1A1GAACTSDSMN1; SMN2HPGD
SCHEMBL8489318 0.84 CES2 (0.49) ALDH1A1GAASMN1; SMN2HPGDGLO1
SCHEMBL8494904 0.84 MAPT (0.47) ALDH1A1GAASMN1; SMN2HPGDGLO1
SCHEMBL8494901 0.84 MAPT (0.47) ALDH1A1GAASMN1; SMN2HPGDGLO1
SCHEMBL8489316 0.84 CES2 (0.49) ALDH1A1GAASMN1; SMN2HPGDGLO1
SCHEMBL8491696 0.83 HPGD (0.47) ALDH1A1SMN1; SMN2HPGDGLO1MAPT
SCHEMBL8491054 0.83 MAPT (0.42) ALDH1A1GLO1MAPTLMNAL3MBTL1
SCHEMBL8491056 0.83 MAPT (0.42) ALDH1A1GLO1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 — — US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 — — US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 — — US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 — — US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 — — EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 — — EP disclosed
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