SCHEMBL8491054

SCHEMBL8491054

CCO/C=C(/C(C)=O)C(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ GLO1 Q04760 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.36
▸ HPD P32754 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34

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
SCHEMBL8491056 1.00 MAPT (0.42) MAPTGLO1ALDH1A1ATMTDP1
SCHEMBL8494901 0.87 MAPT (0.47) MAPTGLO1ALDH1A1LMNAL3MBTL1
SCHEMBL8489316 0.87 CES2 (0.49) MAPTGLO1ALDH1A1TDP1LMNA
SCHEMBL8489318 0.87 CES2 (0.49) MAPTGLO1ALDH1A1TDP1LMNA
SCHEMBL8494904 0.87 MAPT (0.47) MAPTGLO1ALDH1A1LMNAL3MBTL1
SCHEMBL8491696 0.86 HPGD (0.47) MAPTGLO1ALDH1A1
SCHEMBL8491695 0.86 HPGD (0.47) MAPTGLO1ALDH1A1
SCHEMBL8494988 0.85 MAPT (0.41) MAPTALDH1A1ATMTDP1LMNA
SCHEMBL8494992 0.85 MAPT (0.41) MAPTALDH1A1ATMTDP1LMNA
SCHEMBL8488709 0.85 HPD (0.53) MAPTALDH1A1LMNAL3MBTL1MEN1

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
Send feedback