SCHEMBL818458

SCHEMBL818458

COC(=O)C1=CC(C)=CCCC1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 2/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CHRM3 P20309 2/20 0.33
PTPN1 P18031 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
THRB P10828 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL819340 0.80 TLR4 (0.39) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL819318 0.79 KDM4E (0.36) LMNAHSD17B10ALDH1A1KDM4EGAA
SCHEMBL818061 0.77 ALDH1A1 (0.36) TSHRLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL818658 0.76 ALDH1A1 (0.38) TSHRTP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL819729 0.75 L3MBTL1 (0.40) TSHRLMNATP53SMN1; SMN2HSD17B10
SCHEMBL31174918 0.75 KCNH2 (0.41) KCNH2TSHRLMNATP53SMN1; SMN2
SCHEMBL818754 0.74 TSHR (0.38) KCNH2TSHRLMNATP53SMN1; SMN2
SCHEMBL5964811 0.74 ALDH1A1 (0.35) HSD17B10ALDH1A1HPGDPTPN1CYP1A2
SCHEMBL818445 0.74 TSHR (0.40) TSHRLMNATP53HSD17B10ALDH1A1
SCHEMBL819482 0.73 ALDH1A1 (0.42) TSHRLMNATP53HSD17B10ALDH1A1

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