SCHEMBL819759

SCHEMBL819759

COC(=O)C1=CC=CC(C)CC1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
TLR4 O00206 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL817737 0.78 ALDH1A1 (0.38) TLR4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL818501 0.76 ALDH1A1 (0.36) ALDH1A1TSHRKDM4EHPGDATM
SCHEMBL13671086 0.76 KCNH2 (0.40) KCNH2TLR4ALDH1A1TSHRHSD17B10
SCHEMBL818284 0.75 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10GAA
SCHEMBL820015 0.74 L3MBTL1 (0.40) ALDH1A1TSHRKDM4EHPGDATM
SCHEMBL818754 0.73 TSHR (0.38) KCNH2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL818714 0.73 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL1101682 0.70 KCNH2 (0.37) KCNH2TLR4ALDH1A1TSHRHSD17B10
SCHEMBL20383516 0.70 KCNH2 (0.37) KCNH2TLR4ALDH1A1TSHRHSD17B10
SCHEMBL20383515 0.69 KCNH2 (0.36) KCNH2TLR4ALDH1A1TSHRHSD17B10

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-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed