SCHEMBL9339485

SCHEMBL9339485

CCCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.55
CETP P11597 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 5/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PLA2G4B P0C869 3/20 0.43
PPARA Q07869 1/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL9557884 0.98 LTA4H (0.57) LTA4HCETPNPC1POLBCYP2C9
SCHEMBL9343472 0.95 LTA4H (0.48) LTA4HCETPNPC1POLBCYP2C9
SCHEMBL10855613 0.91 FFAR1 (0.43) LTA4HCETPNPC1POLBCYP2C9
Etofenprox SCHEMBL29497314 0.90 LTA4H (0.53) LTA4HCETPNPC1POLBCYP2C9
Etofenprox SCHEMBL27691 0.90 LTA4H (0.53) LTA4HCETPNPC1POLBCYP2C9
Etofenprox SCHEMBL421768 0.90 LTA4H (0.53) LTA4HCETPNPC1POLBCYP2C9
SCHEMBL10859391 0.90 NPC1 (0.49) CETPNPC1POLBCYP2C9RAB9A
SCHEMBL10852645 0.90 LTA4H (0.51) LTA4HCETPNPC1POLBCYP2C9
SCHEMBL10856882 0.89 FFAR1 (0.43) LTA4HNPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL22325441 0.89 LTA4H (0.51) LTA4HCETPNPC1POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421385-B1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS (JP) 1994-06-22 EP disclosed
US-5144083-A Ether cleavage using a metal alkoxide or hydroxide MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-09-01 US disclosed
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