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Sugi Predict / Compounds / Octinoxate

Octinoxate

Octinoxate

SCHEMBL420736

CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1.CCCCCC(CC)OC(=O)/C=C/c1ccccc1OC

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.68
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 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
Octinoxate SCHEMBL7606017 0.91 TDP1 (0.82) TDP1TAS1R3TAS1R1LMNAALDH1A1
Octinoxate SCHEMBL19717857 0.91 TDP1 (0.74) TDP1TAS1R3TAS1R1LMNAMAOB
Amiloxate SCHEMBL128150 0.87 TDP1 (0.59) TDP1TAS1R3TAS1R1LMNAMAOB
SCHEMBL382365 0.85 TDP1 (0.65) TDP1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6291897 0.85 TDP1 (0.65) TDP1LMNAALDH1A1KDM4ESMN1; SMN2
Octocrylene SCHEMBL5160335 0.84 ALDH1A1 (0.51) TDP1TAS1R3TAS1R1LMNAMAOB
SCHEMBL31710835 0.84 NFE2L2 (0.52) TDP1LMNAMAOBALDH1A1KDM4E
SCHEMBL62156 0.84 NFE2L2 (0.52) TDP1LMNAMAOBALDH1A1KDM4E
SCHEMBL14562456 0.84 NFE2L2 (0.52) TDP1LMNAMAOBALDH1A1KDM4E
Octinoxate SCHEMBL4669379 0.83 TDP1 (0.68) TDP1TAS1R3TAS1R1LMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500236-A1 A PRESERVATIVE MIXTURE Symrise AG (DE) 2019-06-26 — — EP disclosed
WO-2018036625-A1 A PRESERVATIVE MIXTURE SYMRISE AG (DE) 2018-03-01 — — WO disclosed
US-20150086655-A1 Morinda Citrifolia Juice Formulations Comprising Iridoids WEST BRETT JUSTIN (US) 2015-03-26 — — US disclosed
US-8790727-B2 Morinda citrifolia and iridoid based formulations TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-07-29 — — US disclosed
US-8679550-B2 Morinda citrifolia juice formulations comprising iridoids TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-03-25 — — US disclosed
US-20120328720-A1 Iridoid Based Formulations MORINDA, INC. 2012-12-27 — — US disclosed
US-20120021079-A1 Garcinia Mangostana L. and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2012-01-26 — — US disclosed
US-20110217394-A1 Iridoid Based Formulations WEST BRETT JUSTIN 2011-09-08 — — US disclosed
WO-2011106432-A2 MORINDA CITRIFOLIA AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106417-A2 GARCINIA MANGOSTANA L. AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106423-A2 ACAI AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106448-A2 IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
US-20110206786-A1 Acai and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2011-08-25 — — US disclosed
US-20110206787-A1 Morinda Citrifolia and Iridoid Based Formulations MORINDA, INC. 2011-08-25 — — US disclosed