SCHEMBL21774682

SCHEMBL21774682

COC(C)Oc1c(C)cc(C(c2ccc(C)cc2)c2cc(C)c(OC(C)OC)c(C)c2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL23627425 0.87
SCHEMBL21775773 0.73 ACHE (0.48)
SCHEMBL21774694 0.73 POLB (0.40)
SCHEMBL21775772 0.70 HTR1A (0.40) MEN1GAAKMT2A
SCHEMBL13523900 0.70 ALDH1A1 (0.43) MEN1GAAKMT2ACHRNA7
SCHEMBL21241774 0.70 PTGS1 (0.48) MEN1GAAKMT2ACHRNA7
SCHEMBL8968707 0.70 KDM4E (0.33) MEN1GAAKMT2A
P-Xylene SCHEMBL828120 0.70 ACHE (0.50) CHRNA7
SCHEMBL122911 0.69 ACHE (0.57) MEN1GAAKMT2ACHRNA7
SCHEMBL21775788 0.69 ALDH1A1 (0.33) MEN1GAAKMT2A

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-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed