SCHEMBL1983133

SCHEMBL1983133

COc1cc(CC(N)CN)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ HTR2B P41595 2/20 0.56
▸ PTGS2 P35354 1/20 0.52
▸ AOC3 Q16853 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL20970858 0.85 PTGS2 (0.57) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL10772079 0.84 HTR2A (0.50) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL10772081 0.84 HTR2A (0.50) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL30254724 0.84 HTR2A (0.50) HTR2AHTR2CHTR2BPTGS2AOC3
Hydrochloric Acid SCHEMBL30255062 0.82 HTR2A (0.49) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL394374 0.81 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
SCHEMBL20553334 0.81 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
SCHEMBL394373 0.81 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
SCHEMBL10437147 0.80 KDM4E (0.58) AOC3CYP19A1CA2
Hydrochloric Acid SCHEMBL31545682 0.79 PTGS2 (0.53) HTR2AHTR2CHTR2BPTGS2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152735-A1 NO-synthase inhibitors comprising N,N'-bis(2-pyridyl)methyl-N,N'-bis(3,4,5-trimethoxybenzyl) ethylenediamine SOCIETE L'OREAL, S.A. (FR) 2004-08-05 — — US claimed
CN-108136219-B Stable dispersions containing droplets comprising gellant 卡普苏姆公司 2024-05-24 — — CN disclosed
CN-110248702-B Composition useful for the cosmetic treatment of oily skin 汤姆凯特国际有限公司 2023-08-01 — — CN disclosed
CN-116035934-A Composition based on paecilomyces acid 欧莱雅 2023-05-02 — — CN disclosed
CN-109562055-B Composition for combating the signs of skin, hair and nails ageing 汤姆凯特国际公司 2023-04-04 — — CN disclosed
CN-106572960-B Compositions comprising microcapsules containing high-wet-point particles 欧莱雅 2021-06-18 — — CN disclosed
EP-3684477-A1 USEFUL COMPOSITIONS FOR THE COSMETIC TREATMENT OF OILY SKIN Tomcat International Limited (GB) 2020-07-29 — — EP disclosed
CN-111202687-A Composition and method for restoring skin barrier function or preventing skin inflammation 晶化生技医药股份有限公司 2020-05-29 — — CN disclosed
CN-105073085-B Active agent combination comprising at least one essential oil, one cyclodextrin and one liquid fatty substance, and composition comprising same 欧莱雅 2020-02-21 — — CN disclosed
EP-3478368-A1 COMPOSITION FOR COMBATING THE SIGNS OF AGEING OF THE SKIN AND HAIR AND NAILS Tomcat International (GB) 2019-05-08 — — EP disclosed
CN-101146508-A Cosmetic and cosmeceutical compositions for restoration of skin barrier function GENEPHARM INC (US) 2008-03-19 — — CN disclosed
WO-2006097349-A1 COSMETIC USE OF A MICROPOROUS SOLID CRYSTALLINE MATERIAL NO FOR IMPROVING THE NATURAL COLOURING AND/OR APPEARANCE OF THE SKIN AND/OR LIPS L'OREAL (FR) 2006-09-21 — — WO disclosed
CN-1240368-C Cosmetic and/or skin applied of composition containing easy oxidation hydrophilic active component stablized by maleic anhydride copolymer OREAL (FR) 2006-02-08 — — CN disclosed
EP-1526833-A1 USE OF LIGNANS FOR PREVENING OR TREATING THE SINGS OF AGEING OF THE SKIN L'OREAL (FR) 2005-05-04 — — EP disclosed
CN-1187035-C Composition containing N-vinyl iminazole polymer or copolymer and oxidation sensitive hydrophilic active ingredients for cosmetics and/or dermatology OREAL (FR) 2005-02-02 — — CN disclosed
US-20040152735-A1 NO-synthase inhibitors comprising N,N'-bis(2-pyridyl)methyl-N,N'-bis(3,4,5-trimethoxybenzyl) ethylenediamine SOCIETE L'OREAL, S.A. (FR) 2004-08-05 — — US disclosed
CN-1496733-A Cosmetic and/or skin applied of composition containing easy oxidation hydrophilic active component stablized by maleic anhydride copolymer 莱雅公司 2004-05-19 — — CN disclosed
WO-2004010965-A1 USE OF LIGNANS FOR PREVENING OR TREATING THE SINGS OF AGEING OF THE SKIN L'OREAL (FR) 2004-02-05 — — WO disclosed
CN-1421193-A Composition containing N-vinyl iminazole polymer or copolymer and oxidation sensitive hydrophilic active ingredients for cosmetics and/or dermatology OREAL (FR) 2003-06-04 — — CN disclosed
CN-1404828-A Use of pantethine sulfonic acid and/or its salt as free radical scavenger OREAL (FR) 2003-03-26 — — CN disclosed
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