SCHEMBL10714235

SCHEMBL10714235

CCCCCCC1C(=O)C=CC1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.61
PPARD Q03181 3/20 0.61
PPARA Q07869 3/20 0.61
PRKCA P17252 5/20 0.51
PRKD3 O94806 3/20 0.51
PRKCG P05129 3/20 0.51
PRKCB P05771 3/20 0.51
PRKCH P24723 3/20 0.51
PRKCE Q02156 3/20 0.51
PRKCQ Q04759 3/20 0.51
PRKCD Q05655 3/20 0.51
PRKD1 Q15139 3/20 0.51
DNTT P04053 2/20 0.48
TRPA1 O75762 2/20 0.44
NR4A2 P43354 2/20 0.44
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10713033 1.00 PPARG (0.61) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10629085 0.98 PPARG (0.59) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10715509 0.94 PPARG (0.53) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10831038 0.88 PPARG (0.46) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10830934 0.81 PPARG (0.39) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10830364 0.77 PPARG (0.38) PPARGPPARDPPARAPRKCAPRKD3
SCHEMBL10717059 0.77 PPARG (0.37) PPARGPPARDPPARACYP3A4
SCHEMBL5616444 0.76 PPARG (1.00) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL5612837 0.76 PPARG (1.00) PPARGPPARDPPARATRPA1NR4A2
SCHEMBL10629076 0.76 PPARG (0.52) PPARGPPARDPPARAPRKCAPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133251-B1 PROCESS FOR PREPARING 4-HYDROXY-2-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-22 EP disclosed
US-4608442-A TREATMENT OF CORRESPONDING 2-ACYLOXY-4- CYCLOPENTENONES WITH ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-26 US disclosed
EP-0133251-A2 Process for preparing 4-hydroxy-2-cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-20 EP disclosed