SCHEMBL4308665

SCHEMBL4308665

COc1ccc2c(c1OC)C(OC)C=C[CH]2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACHE P22303 2/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3628435 0.78 CA1 (0.35) KDM4EALDH1A1MAPTTDP1
SCHEMBL30701949 0.63 CA9 (0.50) AOC3KDM4EALDH1A1ACHEMAPT
SCHEMBL3674074 0.63 CA9 (0.50) AOC3KDM4EALDH1A1ACHEMAPT
SCHEMBL4308679 0.63 KDM4E (0.42) AOC3KDM4EALDH1A1ACHE
SCHEMBL290935 0.62 RET (0.36)
SCHEMBL6718819 0.59 CA2 (0.47) KDM4EALDH1A1ACHEMAPTTDP1
SCHEMBL18287907 0.58 KDM4E (0.39) KDM4EALDH1A1ACHEMAPTTDP1
SCHEMBL28322511 0.58 CYP1A1 (0.44) AOC3KDM4EALDH1A1ACHEMAPT
SCHEMBL8646170 0.57 ACHE (0.60) KDM4EACHE
SCHEMBL1226886 0.57 CYP1A1 (0.40) AOC3KDM4EALDH1A1ACHEMAPT

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
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed