SCHEMBL8727554

SCHEMBL8727554

O=C(c1ccccc1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
CHRM3 P20309 12/20 0.54
CHRM2 P08172 8/20 0.54
CHRM1 P11229 7/20 0.54
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL5051767 0.91 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4618170 0.85 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1431227 0.85 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL360473 0.85 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1235433 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198312 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL29903954 0.84 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020159620-A9 BIOREACHABLE CHIRAL DOPANTS FOR LIQUID CRYSTAL APPLICATIONS ZYMERGEN INC. (US) 2020-10-22 WO claimed
WO-2020159620-A9 BIOREACHABLE CHIRAL DOPANTS FOR LIQUID CRYSTAL APPLICATIONS ZYMERGEN INC. (US) 2020-10-22 WO disclosed
US-8829093-B2 Alkyl aromatic hydroalkylation for the production of plastisizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-09-09 US disclosed
US-20140213709-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTISIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-07-31 US disclosed
EP-0636064-A4 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE. SOANE TECHNOLOGIES INC (US) 1998-07-01 EP disclosed
EP-0636064-A1 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE SOANE TECHNOLOGIES INC. (US) 1995-02-01 EP disclosed
EP-0272580-B1 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same WOJSKOWA AKAD TECH (PL) 1994-08-17 EP disclosed
US-5278243-A Polysiloxanes SOANE TECHNOLOGIES, INC. (US) 1994-01-11 US disclosed
WO-1993021010-A1 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE SOANE TECHNOLOGIES, INC. (US) 1993-10-28 WO disclosed
EP-0227004-B1 LIQUID CRYSTALLINE ETHANE DERIVATIVES, THEIR PREPARATION AND THE LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1990-04-11 EP disclosed
US-4849130-A ISOTHIOCYANATES WOJSKOWA AKADEMIA TECHNICZNA (PL) 1989-07-18 US disclosed
EP-0272580-A2 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1988-06-29 EP disclosed
EP-0227004-A1 Liquid crystalline ethane derivatives, their preparation and the liquid crystal compositions containing same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1987-07-01 EP disclosed