SCHEMBL8494904

SCHEMBL8494904

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ GLO1 Q04760 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8494901 1.00 MAPT (0.47) MAPTGLO1TSHRCYP3A4HPGD
SCHEMBL8489316 0.88 CES2 (0.49) MAPTGLO1TSHRHPGDALDH1A1
SCHEMBL8489318 0.88 CES2 (0.49) MAPTGLO1TSHRHPGDALDH1A1
SCHEMBL8491696 0.87 HPGD (0.47) MAPTGLO1CYP3A4HPGDALDH1A1
SCHEMBL8491054 0.87 MAPT (0.42) MAPTGLO1ALDH1A1LMNAKMT2A
SCHEMBL8491056 0.87 MAPT (0.42) MAPTGLO1ALDH1A1LMNAKMT2A
SCHEMBL8491695 0.87 HPGD (0.47) MAPTGLO1CYP3A4HPGDALDH1A1
SCHEMBL8491640 0.85 ALDH3A1 (0.41) MAPTGLO1ALDH1A1LMNANPC1
SCHEMBL8888323 0.85 HPD (0.41) MAPTGLO1HPGDALDH1A1LMNA
SCHEMBL8488098 0.85 HPD (0.41) MAPTGLO1HPGDALDH1A1LMNA

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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