SCHEMBL6350476

SCHEMBL6350476

CCc1ccc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA6 Q16445 1/20 0.39
EGFR P00533 1/20 0.39
SLC7A5 Q01650 1/20 0.38
TRPA1 O75762 1/20 0.38
RXRA P19793 4/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4627555 0.92 TSHR (0.50) GABRA1GABRB2ALDH1A1TSHRGAA
SCHEMBL27916740 0.92 METAP2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
Ethane SCHEMBL7191052 0.90 METAP2 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4627078 0.89 CRHBP (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4626651 0.85 EGFR (0.35) EGFRSLC7A5RXRANR1H2NR1H3
SCHEMBL18267322 0.85 MAPT (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4627089 0.84 EGFR (0.37) EGFRSLC7A5RXRANR1H2NR1H3
SCHEMBL7191044 0.83 MAPT (0.35) GABRA1GABRB2TRPA1ALDH1A1TSHR
SCHEMBL4627318 0.83 PPARA (0.54) EGFRRXRANR1H2NR1H3ALDH1A1
SCHEMBL18267321 0.81 RXRA (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP disclosed