SCHEMBL11097232

SCHEMBL11097232

CCC(Oc1ccc(Oc2ccc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 14/20 0.53
▸ PPARG P37231 13/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ PPARD Q03181 4/20 0.43

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
SCHEMBL11092133 0.83 SMN1; SMN2 (0.48) PPARAPPARGSMN1; SMN2
SCHEMBL27258901 0.83 CYP1A2 (0.54) PPARAPPARGSMN1; SMN2ALOX5
SCHEMBL11010037 0.83 CYP1A2 (0.54) PPARAPPARGSMN1; SMN2ALOX5
SCHEMBL30946259 0.83 CYP1A2 (0.54) PPARAPPARGSMN1; SMN2ALOX5
SCHEMBL10916531 0.79 L3MBTL1 (0.52) SMN1; SMN2HSD17B10ALOX5
SCHEMBL30559867 0.78 PPARG (0.77) PPARAPPARGSMN1; SMN2
SCHEMBL8935921 0.78 PPARG (0.77) PPARAPPARGSMN1; SMN2
SCHEMBL8935913 0.78 PPARG (0.77) PPARAPPARGSMN1; SMN2
SCHEMBL11550284 0.78 SMN1; SMN2 (0.67) PPARAPPARGSMN1; SMN2
SCHEMBL10848873 0.76 MAPT (0.54) SMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444584-A Ethyl 2[4-(7-chloroquinolin-3-yloxy)phenoxy]propionate, the N-oxide, and herbicidal compositions and methods employing them ICI AUSTRALIA LIMITED (AU) 1984-04-24 — — US disclosed
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