SCHEMBL2597775

SCHEMBL2597775

CC(C)c1ccc(Cl)c(I)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.46
GABRB1 P18505 5/20 0.46
GABRB2 P47870 4/20 0.46
LMNA P02545 4/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2B P41595 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
FAAH O00519 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRG2 P18507 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2C P28335 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL24451056 0.80 GABRA1 (0.52) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL7033022 0.77 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL467309 0.77 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL2585105 0.74 GABRA1 (0.68) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL29699645 0.74 GABRA1 (0.68) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL17344749 0.72 GABRA1 (0.45) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL11416972 0.72 GABRA1 (0.43) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL21668013 0.70 CYP1A2 (0.47) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL2047945 0.70 GABRA1 (0.70) GABRA1GABRB1GABRB2LMNACA1
SCHEMBL23055660 0.69 GABRA1 (0.42) GABRA1GABRB1GABRB2LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491062-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR Dow Global Technologies LLC (US) 2012-08-29 EP disclosed
WO-2011146291-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-24 WO disclosed