SCHEMBL2598231

SCHEMBL2598231

Cc1c(Cc2ccc(O)c(C(C)(C)C)c2C)ccc(O)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 3/20 0.38
HSPA5 P11021 3/20 0.37
AMY1A P0DUB6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP2C9 P11712 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
TYR P14679 3/20 0.34
LMNA P02545 3/20 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
SCHEMBL29399700 0.83 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL6561982 0.83 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4483852 0.80 TRPA1 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL9333540 0.80 TYR (0.51) ALOX15HPGDTDP1CYP2D6MEN1
SCHEMBL9576033 0.79 CYP2C9 (0.32) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL7693390 0.77 NR1H4 (0.48)
SCHEMBL6323325 0.76 HSPA5 (0.37) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL462887 0.76 CYP2D6 (0.30) CYP2D6SMN1; SMN2CYP2C9HIF1ACYP2C19
SCHEMBL394780 0.76 TRPA1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30628003 0.76 TRPA1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5239185-A None JP disclosed
EP-2980159-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL OBTAINED FROM SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2020-11-25 EP disclosed
US-10131767-B2 Polymerizable composition for optical material, optical material obtained from polymerizable composition, and manufacturing method of optical material MITSUI CHEMICALS, INC. (JP) 2018-11-20 US disclosed
US-20160272784-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL OBTAINED FROM POLYMERIZABLE COMPOSITION, AND MANUFACTURING METHOD OF OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2016-09-22 US disclosed
EP-2980159-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL OBTAINED FROM SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2016-02-03 EP disclosed
EP-2746822-B1 PLASTIC LENS HOYA CORP (JP) 2016-01-20 EP disclosed
EP-2746822-A1 PLASTIC LENS HOYA CORPORATION (JP) 2014-06-25 EP disclosed
WO-2011146304-A1 NOVEL EPOXY RESINS FOR SOLVENT-FREE WATERBORNE EMULSIONS HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2011-11-24 WO disclosed
EP-0506315-B1 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS (JP) 1996-08-14 EP disclosed
JP-H05239185-A SEALING EPOXY RESIN MOLDING MATERIAL MATSUSHITA ELECTRIC WORKS LTD 1993-09-17 JP disclosed
US-5194559-A Reacting compounds containing isocyanate and isothiocyanate groups with polyol and polythiol; colorlrss, transparent MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-16 US disclosed
EP-0506315-A2 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-30 EP disclosed