SCHEMBL4078392

SCHEMBL4078392

CC(C)c1cccc(C(C)C)c1[Ti]C1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
DPP4 P27487 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 2/20 0.36
FAAH O00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL5710013 0.73 GABRA1 (0.35) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL28856362 0.71 GABRA1 (0.41) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL17024335 0.68 DPP4 (0.37) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL21064361 0.68 GABRA1 (0.45) GABRA1GABRB2DPP4NR1H2NR1H3
Hydrochloric Acid SCHEMBL715077 0.68 DPP4 (0.37) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL29414063 0.66 GABRA1 (0.55) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL167078 0.66 GABRA1 (0.55) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL18456624 0.66 GPR3 (0.58) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL9174922 0.64 GABRA1 (0.52) GABRA1GABRB2DPP4NR1H2NR1H3
SCHEMBL1819879 0.64 GPR3 (0.44) CA1CA2CYP1A2SLC6A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113026-B1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-12-09 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed