SCHEMBL8488228

SCHEMBL8488228

C=CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(SC)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PKM P14618 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL8488359 0.89 ALDH1A1 (0.37) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8496033 0.86 KDM4E (0.35) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8493394 0.86 NR1H4 (0.36) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8492757 0.85 FTO (0.39) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8492065 0.84 THRB (0.40) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8492238 0.83 HPGD (0.33) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8488994 0.83 MAPT (0.40) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8492682 0.83 SMURF2 (0.40) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8491936 0.82 NR1H4 (0.33) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL8491813 0.82 HPGD (0.37) ALDH1A1CYP11B1CYP11B2NR1H4HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
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