SCHEMBL11397646

SCHEMBL11397646

CC(C)Oc1cccc([C]=O)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
MCHR1 Q99705 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HTR2A P28223 1/20 0.31
TSPO P30536 1/20 0.31
GPR183 P32249 1/20 0.31
APLNR P35414 1/20 0.31
VEGFA P15692 1/20 0.31

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
SCHEMBL16958979 0.84 KCNK3 (0.34) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL1465246 0.77 IRAK4 (0.47) IRAK4CA1CA2CA7CA9
SCHEMBL16953645 0.76 KCNK3 (0.37) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL28310921 0.75 GABRA1 (0.38) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL2814633 0.75 IRAK4 (0.44) KCNK3KCNK9IRAK4CA1CA2
SCHEMBL16953643 0.75 KCNK3 (0.36) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL11397648 0.74 ERN1 (0.40) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL16959516 0.74 CA1 (0.38) KCNK3KCNK9RXFP1IRAK4CA1
SCHEMBL10617132 0.73 IRAK4 (0.49) KCNK3KCNK9RXFP1IRAK4ALDH1A1
SCHEMBL2186181 0.71 KCNK3 (0.34) KCNK3KCNK9RXFP1IRAK4CA1

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-4283344-A Process for producing 1,1,3,3-tetrafluoro-1,3-dihydro-isobenzofuran NIHON NOHYAKU CO., LTD. (JP) 1981-08-11 US disclosed