SCHEMBL8082379

SCHEMBL8082379

CCOCCCCCC(OC(=O)c1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ESR2 Q92731 2/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL8082375 1.00 ESR1 (0.42) ESR1CA12CA1CA2CA7
SCHEMBL8979680 1.00 ESR1 (0.42) ESR1CA12CA1CA2CA7
SCHEMBL8610807 0.96 ESR1 (0.40) ESR1CA12CA1CA2CA7
SCHEMBL8670207 0.89 EPHX2 (0.34) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL8670203 0.89 EPHX2 (0.34) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL6002317 0.87 PNLIP (0.49) ESR1CA12CA1CA2CA7
SCHEMBL7529388 0.87 PNLIP (0.49) ESR1CA12CA1CA2CA7
SCHEMBL9127457 0.87 PNLIP (0.49) ESR1CA12CA1CA2CA7
SCHEMBL8603999 0.87 PNLIP (0.49) ESR1CA12CA1CA2CA7
SCHEMBL8605430 0.87 PNLIP (0.49) ESR1CA12CA1CA2CA7

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-0780456-B1 Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2000-10-11 EP disclosed
US-5723069-A Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-03 US disclosed
EP-0780456-A1 Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-06-25 EP disclosed
US-5587106-A ELECTROOPTICS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-12-24 US disclosed
EP-0568246-B1 Liquid crystal display device and liquid crystal substance therefor MITSUBISHI GAS CHEMICAL CO (JP) 1996-09-04 EP disclosed
EP-0703936-A1 NOVEL POLYOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-04-03 EP disclosed
EP-0545355-B1 Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL CO (JP) 1996-03-20 EP disclosed
WO-1994029362-A1 NOVEL POLYOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-22 WO disclosed
EP-0484849-B1 Optically active alcohol, process for producing same and liquid crystal compound using same MITSUBISHI GAS CHEMICAL CO (JP) 1994-08-31 EP disclosed
US-5275757-A Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-01-04 US disclosed
US-5264150-A Fluorinated, ether aromatic ester compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-11-23 US disclosed
EP-0568246-A1 Liquid crystal display device and liquid crystal substance therefor MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-11-03 EP disclosed
EP-0545355-A1 Liquid crystal compounds and liquid crystal display devices MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-06-09 EP disclosed
EP-0484849-A1 Optically active alcohol, process for producing same and liquid crystal compound using same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-05-13 EP disclosed