SCHEMBL10836626

SCHEMBL10836626

CC(C)(COCc1cccc(Oc2ccc(F)cc2)c1F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
SLC6A4 P31645 10/20 0.36
HTR2A P28223 6/20 0.36
SCN9A Q15858 3/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 4/20 0.36
MAOA P21397 1/20 0.34
HRH1 P35367 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10836809 0.88 RIPK1 (0.43) RIPK1SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL10548364 0.81 RIPK1 (0.40) RIPK1SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL10853088 0.77 NPC1 (0.41) TACR1ALDH1A1
SCHEMBL10548587 0.75 RIPK1 (0.46) RIPK1SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL10856771 0.73 NPC1 (0.42) TACR1ALDH1A1LMNAL3MBTL1
SCHEMBL10837314 0.72 HTR2A (0.38) RIPK1SLC6A4HTR2ATACR1LMNA
SCHEMBL9560406 0.72 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL10855026 0.71 NPC1 (0.43) ALDH1A1
SCHEMBL10837667 0.70 TACR1 (0.42) RIPK1SLC6A4HTR2ATACR1
SCHEMBL11334317 0.70 L3MBTL1 (0.42) SLC6A4HTR2ASCN9ASLC6A2SLC6A3

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-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed