SCHEMBL8488945

SCHEMBL8488945

CC(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.56
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HTT P42858 3/20 0.41
GLA P06280 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 9/20 0.36
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8489402 0.91 HPD (0.69) HPDALDH1A1MAPK1MAPTLMNA
SCHEMBL8492861 0.89 HPD (0.57) HPDALDH1A1MAPK1MAPTLMNA
SCHEMBL8491867 0.88 HPD (0.49) HPDALDH1A1MAPK1HTTHPGD
SCHEMBL8491768 0.87 HPD (0.48) HPDALDH1A1MAPK1NPC1RAB9A
SCHEMBL8492060 0.86 HPD (0.50) HPDALDH1A1MAPK1MAPTLMNA
SCHEMBL8491955 0.86 HPD (0.47) HPDALDH1A1MAPK1NPC1RAB9A
SCHEMBL15103042 0.86 HPD (0.47) HPDALDH1A1MAPK1HTTMAPT
SCHEMBL8489246 0.85 HPD (0.46) HPDALDH1A1MAPK1NPC1RAB9A
SCHEMBL8494434 0.84 HPD (0.46) HPDALDH1A1MAPK1NPC1RAB9A
SCHEMBL8489283 0.83 HPD (0.45) HPDALDH1A1RAB9AMAPTKMT2A

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