SCHEMBL9619092

SCHEMBL9619092

C=COc1ccc(OCC)c(OC=C)c1OC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 6/20 0.36
NQO1 P15559 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL9416185 0.92 NQO1 (0.34) ALDH1A1KDM4ENQO1MAPTGAA
SCHEMBL4136190 0.78 KDM4E (0.31) ALDH1A1KDM4ENQO1TUBB1GABRA1
SCHEMBL9860366 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL9557942 0.76 NQO1 (0.40) ALDH1A1KDM4ENQO1MAPTGAA
SCHEMBL4123478 0.75 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL7711448 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL9636247 0.74 ALDH1A1 (0.35) ALDH1A1KDM4ENQO1MAPTGAA
SCHEMBL5549646 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL9196941 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ENQO1MAPTGAA
SCHEMBL7494250 0.72 KDM4E (0.42) ALDH1A1KDM4ENQO1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4363306-A None JP disclosed
JP-H04363306-A PRODUCTION OF STAR-SHAPED COMPOUND SEKISUI CHEM CO LTD 1992-12-16 JP disclosed
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed