SCHEMBL9799133

SCHEMBL9799133

COc1ccc(C(C)(C)COCc2cccc(Oc3ccc(F)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAOB P27338 4/20 0.43
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MMP13 P45452 1/20 0.37
LTA4H P09960 1/20 0.37
CHRM3 P20309 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL10855026 0.95 NPC1 (0.43) KDM4EALDH1A1SMN1; SMN2HTTMAOB
SCHEMBL10854073 0.94 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAOB
SCHEMBL10857796 0.91 FDFT1 (0.42) ALDH1A1SMN1; SMN2MAOBNPC1POLB
SCHEMBL10856771 0.91 NPC1 (0.42) KDM4EALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL9339448 0.91 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HTTMAOB
SCHEMBL10851610 0.90 FFAR1 (0.44) KDM4EALDH1A1SMN1; SMN2HTTMAOB
SCHEMBL10853088 0.90 NPC1 (0.41) KDM4EALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL10854414 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTNPC1POLB
SCHEMBL10858239 0.89 NPC1 (0.39) KDM4EALDH1A1SMN1; SMN2HTTMAOB
SCHEMBL10483784 0.89 MMP13 (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAOB

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 6 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-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4542243-A HALOALKYLATION, ETHERIFICATION, HYDRODEHALOGENATION, INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-17 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed