SCHEMBL3698804

SCHEMBL3698804

COc1[c]cc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
TSHR P16473 1/20 0.35
TDO2 P48775 1/20 0.35
XDH P47989 1/20 0.35
LMNA P02545 2/20 0.34
TYR P14679 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL27934821 0.86 RXRB (0.41) TDO2MAPTKDM4E
SCHEMBL161106 0.84 TSHR (0.36) KIF11TSHRLMNATYRNPC1
SCHEMBL4820299 0.79 ESR2 (0.48) NPC1RAB9AMAPTTP53MAPK1
SCHEMBL330488 0.79 PDE4B (0.38) TSHRLMNANPC1RAB9AALDH1A1
SCHEMBL28849515 0.78 KIF11 (0.37) KIF11TSHRXDHRAB9AALDH1A1
SCHEMBL29207844 0.77 ALDH1A1 (0.38) TDO2LMNANPC1RAB9AALDH1A1
SCHEMBL27342664 0.77 NPC1 (0.37) TDO2NPC1RAB9A
SCHEMBL29058847 0.75 KIF11 (0.47) KIF11TSHRXDHLMNATYR
SCHEMBL2890568 0.73 PDE2A (0.35)
SCHEMBL3423876 0.72 KIF11 (0.70) KIF11TSHRXDHLMNATYR

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
EP-3911296-A1 DIESTER OF PLANT-BASED 1,3-PROPANEDIOL Symrise AG (DE) 2021-11-24 EP disclosed
EP-3687492-A1 FRUIT FLAVORINGS PRODUCING A YELLOW TASTE SENSATION Symrise AG (DE) 2020-08-05 EP disclosed
WO-2020147934-A1 DIESTER OF PLANT-BASED 1,3-PROPANEDIOL SYMRISE AG (DE) 2020-07-23 WO disclosed
EP-3558508-A1 MICROCAPSULES Symrise AG (DE) 2019-10-30 EP disclosed
EP-3558030-A1 AROMATIC MIXTURE FOR REDUCING THE ODOR OR TASTE OF BIOGENIC AMINES Symrise AG (DE) 2019-10-30 EP disclosed
CN-110099990-A Perfume mixture 西姆莱斯股份公司 2019-08-06 CN disclosed
EP-3496699-A1 N-METHYL-N-((2S,3R,4R,5R)-2,3,4,5,6-PENTAHYDROXYHEXYL)-(Z)-OCTADEC-9-ENAMIDE FOR REDUCTION OF EYE IRRITATION Werner & Mertz GmbH (DE) 2019-06-19 EP disclosed
EP-3442354-A1 COMPOSITION AND PRODUCTION OF SPINACH EXTRACT WITH SS-ECDYSONE Symrise AG (DE) 2019-02-20 EP disclosed
EP-3423028-A1 METHOD FOR THE PRODUCTION OF SCENT CAPSULES WITH IMPROVED SURFACTANT STABLITY Symrise AG (DE) 2019-01-09 EP disclosed
EP-3416612-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES Symrise AG (DE) 2018-12-26 EP disclosed
CN-101677921-A Cosmetic preparation containing hydrocarbons COGNIS IP MAN GMBH 2010-03-24 CN disclosed
CN-101516449-A Alkyl benzoate mixtures COGNIS IP MAN GMBH (DE) 2009-08-26 CN disclosed
CN-101500537-A Concentrated emulsions COGNIS IP MAN GMBH (DE) 2009-08-05 CN disclosed
CN-101406438-A Oil-in-water emulsion for beauty treatment and medicine GOLDSCHMIDT CO LTD (DE) 2009-04-15 CN disclosed
CN-101151044-A Composition comprising beta-defensin 2 HENKEL KGAA (DE) 2008-03-26 CN disclosed
CN-101060837-A Preparation containing oxidized flavonoid derivatives MERCK PATENT GMBH (DE) 2007-10-24 CN disclosed
CN-101048226-A Use of random copolymers MERCK PATENT GMBH (DE) 2007-10-03 CN disclosed
CN-1398179-A Cosmetic prepns. contg. waltheria indica extracts COGIS FRANCE S A (FR) 2003-02-19 CN disclosed
CN-1379655-A Decorative cosmetic preparations containing chitosan microcapsules charged with active ingredients PRIMACARE S A (ES) 2002-11-13 CN disclosed
CN-1338922-A Use of nanoscale chitosanes and/or chitosane derivatives COGNIS DEUTSCHLAND GMBH (DE) 2002-03-06 CN disclosed