SCHEMBL4725495

SCHEMBL4725495

O=C(O)C#Cc1ccccc1OC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.56
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NTSR1 P30989 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
EPM2A O95278 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN3 P26045 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN7 P35236 1/20 0.35

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
SCHEMBL16673211 0.79 FFAR1 (0.49) FFAR1RXRARXRBRXRGGAA
SCHEMBL27367665 0.77 FFAR1 (0.63) FFAR1RXRARXRBRXRGALDH1A1
SCHEMBL670658 0.77 FFAR1 (0.52) FFAR1HSP90AA1NTSR1ALDH1A1L3MBTL1
SCHEMBL30772315 0.75 HSP90AA1 (0.48) FFAR1HSP90AA1NTSR1ALDH1A1L3MBTL1
SCHEMBL17974963 0.75 FFAR1 (0.47) FFAR1RXRARXRBRXRGGAA
SCHEMBL96814 0.74 FFAR1 (0.46) FFAR1RXRARXRBRXRGGAA
SCHEMBL3161990 0.74 FFAR1 (0.52) FFAR1GAAHSP90AA1NTSR1ALDH1A1
SCHEMBL12469659 0.73 L3MBTL1 (0.53) GAAALDH1A1L3MBTL1PTGDR2
SCHEMBL8307304 0.71 FFAR1 (0.47) FFAR1RXRARXRBRXRGGAA
SCHEMBL2292901 0.71 PTGDR2 (0.46) FFAR1HSP90AA1NTSR1ALDH1A1PTGDR2

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
EP-1937641-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES Janssen Pharmaceutica, N.V. (BE) 2008-07-02 EP disclosed
WO-2007041112-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed