SCHEMBL8489318

SCHEMBL8489318

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.49
▸ GLO1 Q04760 2/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAPT P10636 7/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPK1 P28482 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ TDP1 Q9NUW8 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GPR35 Q9HC97 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
SCHEMBL8489316 1.00 CES2 (0.49) CES2GLO1SMN1; SMN2MAPTLMNA
SCHEMBL10864814 0.89 GLO1 (0.49) CES2GLO1SMN1; SMN2MAPTLMNA
SCHEMBL8494901 0.88 MAPT (0.47) GLO1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8494904 0.88 MAPT (0.47) GLO1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8491695 0.87 HPGD (0.47) GLO1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL8491056 0.87 MAPT (0.42) CES2GLO1MAPTLMNAALDH1A1
SCHEMBL8491696 0.87 HPGD (0.47) GLO1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL8491054 0.87 MAPT (0.42) CES2GLO1MAPTLMNAALDH1A1
SCHEMBL8488098 0.85 HPD (0.41) CES2GLO1SMN1; SMN2MAPTLMNA
SCHEMBL8888323 0.85 HPD (0.41) CES2GLO1SMN1; SMN2MAPTLMNA

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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