SCHEMBL6909795

SCHEMBL6909795

CC(C)c1cc2ccccc2c(O)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRB2 P47870 2/20 0.42
GABRB1 P18505 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRG2 P18507 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL21962162 0.85 GABRA1 (0.42) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL19203288 0.85 GABRA1 (0.45) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL8090751 0.83 TRPM4 (0.50) GABRA1GABRB2CYP1A2LMNAPTPN22
SCHEMBL72911 0.82 SIGMAR1 (0.39) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL2810800 0.81 SIGMAR1 (0.38) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL6932320 0.81 SIGMAR1 (0.38) GABRA1GABRB2CYP1A2CYP3A4LMNA
Hydrogen Sulfide SCHEMBL28277787 0.81 SIGMAR1 (0.38) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL6932314 0.81 SIGMAR1 (0.38) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL2810799 0.81 SIGMAR1 (0.38) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL7923586 0.79 CYP1A2 (0.41) GABRA1GABRB2CYP1A2CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546066-B2 Pressure-sensitive recording material and its' method of preparation MITSUBISHI HITEC PAPER EUROPE GMBH (DE) 2018-06-27 EP disclosed
EP-2546066-B1 Pressure-sensitive recording material and its' method of preparation MITSUBISHI HITEC PAPER EUROPE (DE) 2014-09-10 EP disclosed
EP-2546068-B1 Recording material for pressure-induced formation of a typeface and method for producing such a recording material MITSUBISHI HITEC PAPER EUROPE (DE) 2014-09-10 EP disclosed
EP-2546068-A1 Recording material for pressure-induced formation of a typeface and method for producing such a recording material Mitsubishi HiTec Paper Europe GmbH (DE) 2013-01-16 EP disclosed
EP-2546067-A1 Method for preparing a pressure-sensitive recording material Mitsubishi HiTec Paper Europe GmbH (DE) 2013-01-16 EP disclosed
EP-2546066-A1 Pressure-sensitive recording material and its' method of preparation Mitsubishi HiTec Paper Europe GmbH (DE) 2013-01-16 EP disclosed
US-20040075802-A1 Sealant for liquid crystal display cell, composition for liquid crystal display cell sealant and liquid crystal display element MITSUI CHEMICALS, INC. (JP) 2004-04-22 US disclosed
EP-1153952-A1 SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, COMPOSITION FOR SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, AND LIQUID-CRYSTAL DISPLAY ELEMENT Mitsui Chemicals, Inc. (JP) 2001-11-14 EP disclosed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed