SCHEMBL6350428

SCHEMBL6350428

Cc1cc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 1/20 0.38
AR P10275 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GRM6 O15303 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CISD2 Q8N5K1 1/20 0.34

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
SCHEMBL16502360 0.91 GABRA1 (0.40) CYP2C9CYP2C19NPSR1EGFRAR
Ethane SCHEMBL4644131 0.90 KDM4E (0.38) CYP2C9CYP2C19NPSR1EGFRAR
SCHEMBL4627116 0.89 TSHR (0.48) CA12CA1CA2CA9CA14
SCHEMBL828580 0.88 EGFR (0.41) CYP2C9CYP2C19NPSR1EGFRCA12
SCHEMBL4625757 0.86 MAPK1 (0.36) CYP2C9CYP2C19NPSR1EGFRAR
SCHEMBL31455919 0.84 KDM4E (0.41) EGFRCA12CA1CA2CA9
SCHEMBL28703662 0.82 EGFR (0.38) CYP2C9CYP2C19NPSR1EGFRAR
SCHEMBL17062173 0.81 CA1 (0.47) CYP2C9CYP2C19NPSR1CA12CA1
SCHEMBL31455587 0.81 LMNA (0.38) CYP2C9CYP2C19NPSR1EGFRAR
SCHEMBL10260913 0.81 GABRG2 (0.36) CYP2C9CYP2C19NPSR1EGFRAR

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