SCHEMBL6934705

SCHEMBL6934705

CC[C@H](C)COC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
ESR1 P03372 3/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
ESR2 Q92731 1/20 0.57
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
KDR P35968 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL8377627 1.00 MAPT (0.69) MAPTESR1CA12CA1CA2
SCHEMBL6937249 0.95 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL7130965 0.95 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL7130973 0.95 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL9493539 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL8956806 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL9493542 0.94 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL9511839 0.93 MAPT (0.61) MAPTESR1CA12CA1CA2
SCHEMBL5368475 0.88 MAPT (0.86) MAPTESR1CA12CA1CA2
SCHEMBL4953172 0.88 MAPT (0.66) MAPTESR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956889-B Color polysilsesquioxane liquid crystal film and preparation method and application thereof 苏州大学 2023-04-25 CN disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5900145-A CROSSLINKED POLYSILOXANE LAYER HAVING AN AROMATIC LIQUID CRYSTAL SIDECHAIN INCLUDING A 2,6-NAPHTHALENE OR 4,4'-DIPHENYLENE GROUP; SEPARATION OF ISOMERS OF AROMATIC HYDROCARBONS, HALOGENATED AROMATIC TOXIC HYDROCARBONS J & K ENVIRONMENTAL LTD. (CA) 1999-05-04 US disclosed
US-5656197-A Ferroelectric liquid crystal NATIONAL SCIENCE COUNCIL (TW) 1997-08-12 US disclosed
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
US-5229032-A Reacting p-aminobenzoic acid with sodium nitrite, then with alkylmercaptane, mineral acids to form alkylthiobenzoic acid, esterification SHOWA DENKO K.K. (JP) 1993-07-20 US disclosed
EP-0110299-B2 SMECTIC LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS HITACHI, LTD. (JP) 1993-06-09 EP disclosed
EP-0258578-B1 LIQUID CRYSTAL COMPOUNDS HAVING ETHER TAIL MOIETY POLAROID CORPORATION (US) 1993-01-07 EP disclosed
EP-0136845-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTERS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1988-06-01 EP disclosed
EP-0258578-A2 Liquid crystal compounds having ether tail moiety POLAROID CORPORATION (US) 1988-03-09 EP disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0256303-A2 Liquid crystal compounds having fluorine-containing core POLAROID CORPORATION (US) 1988-02-24 EP disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed
US-4589996-A DISPLAY ELEMENTS;HIGH RESPONSE VELOCITY CHISSO CORPORATION (JP) 1986-05-20 US disclosed
US-4576732-A OPTICAL DISPLAYS HITACHI, LTD. (JP) 1986-03-18 US disclosed
EP-0136845-A2 Liquid crystalline carbonic acid esters and liquid crystal compositions containing the same Chisso Corporation (JP) 1985-04-10 EP disclosed
EP-0110299-A2 Smectic liquid crystal compounds and liquid crystal compositions HITACHI, LTD. (JP) 1984-06-13 EP disclosed