SCHEMBL9636247

SCHEMBL9636247

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 8/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
NQO1 P15559 1/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 3/20 0.33
TUBB1 Q9H4B7 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 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
SCHEMBL9635144 0.92 NQO1 (0.33) ALDH1A1KDM4EMAPTGAANQO1
SCHEMBL8224319 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRL3MBTL1
SCHEMBL29022990 0.76 GABRA1 (0.31)
SCHEMBL15722967 0.75 FGFR2 (0.34) ALDH1A1KDM4EMAPTGAATUBB1
SCHEMBL9619092 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTGAANQO1
SCHEMBL5611836 0.73 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9634887 0.72 TSHR (0.36) ALDH1A1KDM4EGAANQO1TSHR
SCHEMBL9196941 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAANQO1
SCHEMBL8219624 0.68 CSNK2A1 (0.41) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL8225175 0.67 CYP1A2 (0.35) ALDH1A1KDM4EMAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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