SCHEMBL10338352

SCHEMBL10338352

COC(=O)C1=CCC(=O)OC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
TLR4 O00206 1/20 0.36
MAPT P10636 1/20 0.34
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 5/20 0.32
PTPN1 P18031 2/20 0.32
GAA P10253 4/20 0.31
HPGD P15428 3/20 0.31
CASP1 P29466 3/20 0.31
CASP7 P55210 3/20 0.31
HSD17B10 Q99714 3/20 0.31
ATM Q13315 2/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GLA P06280 3/20 0.31
CHRM3 P20309 2/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 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
SCHEMBL10338350 1.00 KCNH2 (0.36) KCNH2TLR4MAPTKDM4EALDH1A1
SCHEMBL10701200 0.73 MAPT (0.37) KCNH2TLR4MAPTKDM4EALDH1A1
SCHEMBL12998011 0.63 TLR4 (0.40) KCNH2TLR4KDM4EALDH1A1GAA
SCHEMBL30989570 0.63 KCNH2 (0.44) KCNH2TLR4KDM4EALDH1A1GAA
SCHEMBL4384894 0.62 KDM4E (0.36) KCNH2TLR4MAPTKDM4EALDH1A1
SCHEMBL8267251 0.62 KCNH2 (0.36) KCNH2TLR4KDM4EPTPN1HPGD
SCHEMBL5798986 0.61
SCHEMBL20383513 0.61 ALDH1A1 (0.47) KCNH2KDM4EALDH1A1GAAHPGD
SCHEMBL2834961 0.61 ALDH1A1 (0.47) KCNH2KDM4EALDH1A1GAAHPGD
SCHEMBL23417814 0.61 KCNH2 (0.41) KCNH2TLR4KDM4EALDH1A1GAA

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
JP-2059565-A None JP disclosed
JP-H0259565-A OPTICALLY ACTIVE OLEFIN LACTONE DERIVATIVE AND PRODUCTION THEREOF TAKASAGO INTERNATL CORP 1990-02-28 JP disclosed