SCHEMBL11317606

SCHEMBL11317606

CC(C)c1cc(C(F)(F)C(O)(F)C(F)(F)F)ccc1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.47
CYP2C19 P33261 1/20 0.44
PPARD Q03181 5/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11317603 0.87 PTGDR2 (0.46) PTGDR2CYP2C19PPARD
SCHEMBL14565996 0.77 CYP2C19 (0.49) PTGDR2CYP2C19PPARDGLAL3MBTL1
SCHEMBL24886126 0.74 PTGDR2 (0.57) PTGDR2GLAL3MBTL1
SCHEMBL11270936 0.73 RXRA (0.33)
SCHEMBL18528838 0.73 TDP1 (0.64) PTGDR2
SCHEMBL4810585 0.73 GLA (0.46) PTGDR2CYP2C19GLAL3MBTL1
SCHEMBL3188075 0.73 PTGDR2 (0.61) PTGDR2GLAL3MBTL1
SCHEMBL4808600 0.72 L3MBTL1 (0.66) PTGDR2GLAL3MBTL1
SCHEMBL11314673 0.72 PTPN1 (0.44) PTGDR2PPARD
SCHEMBL24885619 0.72 PTGDR2 (0.52) PTGDR2GLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272550-A Omega-[4-(polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio]alkanoic acids and compounds related thereto SCHERING CORPORATION (US) 1981-06-09 US disclosed
US-4199597-A Omega-(4-polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio)alkanoic acids and compounds related thereto SCHERING CORPORATION (US) 1980-04-22 US disclosed