SCHEMBL9799362

SCHEMBL9799362

CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccc(F)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 5/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
GAA P10253 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CETP P11597 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL10851692 0.94 LTA4H (0.47) LTA4HNPC1POLBCYP2C9RAB9A
SCHEMBL10855026 0.93 NPC1 (0.43) NPC1POLBCYP2C9RAB9AFFAR1
Etofenprox SCHEMBL29497314 0.92 LTA4H (0.53) LTA4HNPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL421768 0.92 LTA4H (0.53) LTA4HNPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL27691 0.92 LTA4H (0.53) LTA4HNPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL22325441 0.91 LTA4H (0.51) LTA4HNPC1POLBCYP2C9RAB9A
SCHEMBL7518876 0.89 LTA4H (0.52) LTA4HNPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL20511478 0.89 LTA4H (0.50) LTA4HNPC1POLBCYP2C9RAB9A
SCHEMBL10857796 0.89 FDFT1 (0.42) NPC1POLBCYP2C9RAB9ALMNA
SCHEMBL10856771 0.89 NPC1 (0.42) NPC1POLBCYP2C9RAB9AFFAR1

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