SCHEMBL9799184

SCHEMBL9799184

CC(C)(C)Oc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
CETP P11597 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
FAAH O00519 1/20 0.39
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.38
ADRA2A P08913 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10859391 0.93 NPC1 (0.49) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL10854916 0.91 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL8675859 0.90 MAPK14 (0.49) NPC1POLBCYP2C9RAB9ACETP
Halfenprox SCHEMBL29795788 0.90 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
Halfenprox SCHEMBL62803 0.90 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL10532258 0.89 NPC1 (0.44) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL9339448 0.88 KDM4E (0.54) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL9558481 0.88 FAAH (0.45) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL10849764 0.88 NPC1 (0.41) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL10856880 0.88 NPC1 (0.41) NPC1POLBCYP2C9RAB9ACETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219553-B1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-03-06 EP disclosed
US-4873373-A Process for preparation of 3-phenoxybenzyl 2-(4-alkoxyphenyl)-2-methylpropyl ethers MITSUI TOATSU CHEMICALS, INC. (JP) 1989-10-10 US disclosed
EP-0219553-A1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-04-29 EP disclosed
US-4542243-A HALOALKYLATION, ETHERIFICATION, HYDRODEHALOGENATION, INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-17 US disclosed