SCHEMBL30865714

SCHEMBL30865714

COc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1C1(P(=O)=O)C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TOP1 P11387 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.38
PIM1 P11309 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
DUSP3 P51452 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30865720 0.71 CA1 (0.44) CA1CA2CA7CA9TOP1
SCHEMBL351987 0.69 CA1 (0.42) CA1CA2CA7CA9TOP1
SCHEMBL3417492 0.64 EGFR (0.76) CA1CA2CA7CA9TOP1
SCHEMBL28575370 0.64 MEN1 (0.72) CA1CA2CA7CA9TOP1
SCHEMBL10177358 0.63 ALDH1A1 (0.39) CA1CA2CA7CA9TOP1
SCHEMBL8947495 0.63 EGFR (0.73) CA1CA2CA7CA9TOP1
SCHEMBL384815 0.62 TOP1 (0.55) CA1CA2CA7CA9TOP1
SCHEMBL19659902 0.62 TOP1 (0.46) CA1CA2CA7CA9TOP1
SCHEMBL8736314 0.62 ALDH1A1 (0.56) CA1CA2CA7CA9TOP1
SCHEMBL29378366 0.62 TOP1 (0.55) CA1CA2CA7CA9TOP1

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-2024060641-A1 CYCLOTRIARYLPHOSPHINE, METHOD FOR PREPARING SAME, AND USE THEREOF 东莞市均成高新材料有限公司 2024-03-28 WO disclosed