SCHEMBL4885314

SCHEMBL4885314

CC(C)(O)c1cccc(C(C)(C)O)c1C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 1/20 0.36
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX12 P18054 1/20 0.32
CDK8 P49336 1/20 0.30
CDK5 Q00535 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL11954793 0.86 CA2 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28266655 0.85 ALDH1A1 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28364575 0.84 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9265913 0.84 PGR (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10958877 0.82 CA2 (0.32) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL2059781 0.79 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29506834 0.79 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1337562 0.79 PDCD1 (0.39) CA2ALDH1A1TSHRTDP1PGR
SCHEMBL28218826 0.79 ALOX15 (0.46) CA2ALDH1A1TSHR
SCHEMBL548252 0.78 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5255160-A None JP disclosed
CN-105264440-B Anti-corrosion agent composition 三菱瓦斯化学株式会社 2019-09-24 CN disclosed
CN-104737073-B Anti-corrosion agent composition 三菱瓦斯化学株式会社 2019-03-08 CN disclosed
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN disclosed
EP-1910455-B1 STABILIZATION OF POLYOLEFINS WITH LIQUID TRIS-(MONO-ALKYL)PHENYL PHOSPHITES BASF SE (DE) 2012-08-08 EP disclosed
US-7468410-B2 Adding tris-(sec-butylphenyl)phosphite to polyolefin (low density polyethylene) for stabilizing against the deleterious effects of melt processing, heat aging and exposure to combustion products-of natural gas CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-23 US disclosed
US-20070021537-A1 Stabilization of polyolefins with liquid tris-(mono-alkyl)phenyl phosphites CIBA SPECIALTY CHEMICALS CORP. 2007-01-25 US disclosed
JP-H05255160-A PRODUCTION OF AROMATIC TRIALCOHOL MITSUI PETROCHEM IND LTD 1993-10-05 JP disclosed
US-4204075-A PURIFICATION PENNWALT CORPORATION (US) 1980-05-20 US disclosed
US-4133835-A REACTING AN OLEFIN, A HALIDE, AND A HYDROPEROXIDE PENNWALT CORPORATION (US) 1979-01-09 US disclosed