SCHEMBL9570831

SCHEMBL9570831

COc1ccc(C(CO)C(F)(F)F)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
ACHE P22303 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL11454395 0.83 PPARG (0.45) PPARGPPARDPPARATSHRNFKB1
SCHEMBL9570755 0.79 ABCB11 (0.46) TSHRCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL7120860 0.77 PPARG (0.53) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL10902404 0.77 PPARG (0.66) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL9570766 0.75 AOC3 (0.48) TSHRSMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL22785859 0.75 CYP3A4 (0.74) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL8867400 0.75 PPARG (0.64) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL22785862 0.75 CYP3A4 (0.74) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL1655319 0.75 CYP3A4 (0.74) PPARGPPARDPPARATSHRCYP3A4
SCHEMBL9570629 0.75 KDM1A (0.40) CYP1A2CYP2C9CYP2C19KMT2ANPSR1

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-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed