SCHEMBL7792855

SCHEMBL7792855

CC(C)(C)c1cccc(CC(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
AKR1B1 P15121 1/20 0.50
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
ALOX12 P18054 1/20 0.41
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL3852706 0.83 AKR1B1 (0.55) AKR1B1TDP1NR1H4PTGS2ALDH1A1
SCHEMBL4975584 0.83 CA2 (0.52) CA2GABRA1GABRB2NPSR1ATM
SCHEMBL30501159 0.83 CA2 (0.52) CA2GABRA1GABRB2NPSR1ATM
SCHEMBL57139 0.83 GABRA1 (0.67) CA2GABRA1GABRB2PTPN5NPSR1
SCHEMBL28079937 0.82 AKR1B1 (0.46) CA2AKR1B1DUSP3PTPN5PTPN11
Propane SCHEMBL28225674 0.81 GABRA1 (0.64) CA2GABRA1GABRB2PTPN5NPSR1
SCHEMBL5120337 0.81 GABRA1 (0.71) AKR1B1GABRA1GABRB2DUSP3PTPN5
SCHEMBL7937087 0.80 AKR1B1 (0.67) AKR1B1GABRA1GABRB2DUSP3PTPN5
SCHEMBL27918614 0.80 CA2 (0.48) CA2GABRA1GABRB2NPSR1ATM
Propionic Acid SCHEMBL3106507 0.79 CA2 (0.68) CA2GABRA1GABRB2NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602300-B1 PHOTOCHROMIC COMPOSITION TOKUYAMA CORP (JP) 2019-06-12 EP disclosed
US-9234984-B2 Photochromic composition TOKUYAMA CORPORATION (JP) 2016-01-12 US disclosed
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed
US-20130215488-A1 Photochromic Composition TOKUYAMA CORPORATION (JP) 2013-08-22 US disclosed
EP-2602300-A1 PHOTOCHROMIC COMPOSITION Tokuyama Corporation (JP) 2013-06-12 EP disclosed
CN-103080269-A Photochromic composition TOKUYAMA CORP 2013-05-01 CN disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed