SCHEMBL6357365

SCHEMBL6357365

CCC(C)(C)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL6347998 0.89 KDM4E (0.37) KDM4EL3MBTL1CYP1A2GABRPGABRD
SCHEMBL233439 0.87 PPARA (0.35) KDM4EL3MBTL1GABRPGABRDGABRA1
SCHEMBL235065 0.85 PPARA (0.37) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1196400 0.82 KDM4E (0.37) KDM4EL3MBTL1CYP1A2ALDH1A1
SCHEMBL5502121 0.78 TRPA1 (0.30)
SCHEMBL7924181 0.77 KDM4E (0.34) KDM4EL3MBTL1CYP1A2ALDH1A1
SCHEMBL724440 0.76 PPARA (0.46) KDM4E
SCHEMBL724439 0.76 PPARA (0.43) KDM4E
SCHEMBL1999199 0.76 CYP1A2 (0.34) KDM4EL3MBTL1CYP1A2USP2ALDH1A1
SCHEMBL10455432 0.76 CYP1A2 (0.34) KDM4EL3MBTL1CYP1A2ALDH1A1TSHR

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