SCHEMBL10170026

SCHEMBL10170026

CC(C)c1cccc(C(C)C)c1N(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 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
SCHEMBL22705066 0.78 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14306335 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL59823 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14236878 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL8608048 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1228799 0.73 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24732276 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL29088787 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL16923169 0.72 ELANE (0.40) LMNACA1CA2CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL7550582 0.72 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2LMNA

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
EP-2169018-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2012-01-18 EP disclosed
EP-2169022-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-11-16 EP disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169018-A2 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
EP-2169022-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
EP-1952982-A1 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM Corporation (JP) 2008-08-06 EP disclosed