SCHEMBL3735377

SCHEMBL3735377

CCCCCCC1=Cc2ccccc2C1[Zr](Cl)(Cl)(C1C(CCCCCC)=Cc2ccccc21)=[Si](c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CDC25A P30304 1/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
LIPG Q9Y5X9 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
SCHEMBL3742506 0.95 HTR5A (0.31)
SCHEMBL3734739 0.90
SCHEMBL3732682 0.86 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8089605 0.84
SCHEMBL7929676 0.80 CYP2D6 (0.37) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3739293 0.80 HTR5A (0.33) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7929744 0.78 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7929753 0.78 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3731883 0.78
SCHEMBL7929761 0.78 CYP3A4 (0.36) CYP2D6CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280197-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER TAKAOKI KAZUO 2010-11-04 US disclosed
US-20030069127-A1 Modified particle,support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2003-04-10 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed
EP-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed