SCHEMBL8493324

SCHEMBL8493324

CCOC=C(C(=O)Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL8493322 1.00 HPD (0.45) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8492666 0.88 HPD (0.47) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8492661 0.88 HPD (0.47) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8491682 0.88 HPD (0.53) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8491684 0.88 HPD (0.53) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL9019943 0.86 HPD (0.48) HPDALDH1A1MEN1KMT2AMAPT
SCHEMBL8488906 0.86 HPD (0.48) HPDALDH1A1MEN1KMT2AMAPT
SCHEMBL8488709 0.86 HPD (0.53) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8488712 0.86 HPD (0.53) HPDALDH1A1MEN1KMT2AMITF
SCHEMBL8489436 0.84 HPD (0.51) HPDALDH1A1MEN1KMT2AMITF

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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