SCHEMBL4213099

SCHEMBL4213099

CCCO[Si](CC)(NC1CCCCC1)OCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ADH1A P07327 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4207846 0.98 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19EPHX1ALDH1A1
SCHEMBL4207854 0.87 EPHX1 (0.35) CYP1A2CYP2D6CYP2C19EPHX1ALDH1A1
SCHEMBL4207168 0.85 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19EPHX1ALDH1A1
SCHEMBL3861735 0.85 THRB (0.34) EPHX1ALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL4208598 0.84 EPHX1 (0.37) EPHX1SIGMAR1
SCHEMBL4215225 0.82 THRB (0.32) ALDH1A1KDM4ENPSR1
SCHEMBL4205780 0.82 MEN1 (0.37) CYP1A2CYP2D6CYP2C19EPHX1
SCHEMBL4205739 0.79 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19EPHX1ALDH1A1
SCHEMBL4214620 0.79 NPSR1 (0.36) EPHX1ALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL4205640 0.77 POLB (0.33) EPHX1ALDH1A1

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
US-20090253873-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING POLYMER OR COPOLYMER OF OLEFIN USING THE SAME TOHO CATALYST CO., LTD (JP) 2009-10-08 US disclosed
EP-1829898-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING POLYMER OR COPOLYMER OF OLEFIN USING THE SAME Toho Catalyst Co., Ltd. (JP) 2007-09-05 EP disclosed