SCHEMBL6937249

SCHEMBL6937249

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
ESR1 P03372 3/20 0.62
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ESR2 Q92731 2/20 0.62
ADRB2 P07550 2/20 0.59
ADRB1 P08588 2/20 0.59
ADRB3 P13945 2/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.59
CHRM1 P11229 1/20 0.59
SLC6A2 P23975 1/20 0.59
KDR P35968 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL7130965 1.00 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL7130973 1.00 MAPT (0.76) MAPTESR1CA12CA1CA2
SCHEMBL6934705 0.95 MAPT (0.69) MAPTESR1CA12CA1CA2
SCHEMBL8377627 0.95 MAPT (0.69) MAPTESR1CA12CA1CA2
SCHEMBL5368475 0.93 MAPT (0.86) MAPTESR1CA12CA1CA2
SCHEMBL4953172 0.92 MAPT (0.66) MAPTESR1CA12CA1CA2
SCHEMBL9456360 0.92 MAPT (0.66) MAPTESR1CA12CA1CA2
SCHEMBL9511839 0.89 MAPT (0.61) MAPTESR1CA12CA1CA2
SCHEMBL8956806 0.88 MAPT (0.78) MAPTESR1CA12CA1CA2
SCHEMBL9493542 0.88 MAPT (0.78) 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
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-5656197-A Ferroelectric liquid crystal NATIONAL SCIENCE COUNCIL (TW) 1997-08-12 US disclosed
US-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 US disclosed
US-5554706-A LOW TEMPERATURE LIQUID CRYSTALS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0695770-A1 COPOLYMER HAVING LIQUID CRYSTAL GROUP IN THE SIDE CHAIN SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-02-07 EP disclosed
US-5356561-A Carboxylate compounds, liquid crystal compositions and liquid crystal elements containing said compounds and method of optical modulation using said elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 US disclosed
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
EP-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 EP disclosed
US-4857227-A Liquid crystal mixtures having widened smectic temperature range POLAROID CORPORATION PATENT DEPARTMENT (US) 1989-08-15 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US 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-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
EP-0136845-A2 Liquid crystalline carbonic acid esters and liquid crystal compositions containing the same Chisso Corporation (JP) 1985-04-10 EP disclosed