SCHEMBL21775768

SCHEMBL21775768

C=CC(=O)Oc1c(C)cc(C(c2ccc(C)cc2)c2cc(C)c(OC(=O)C=C)c(C)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
STAT3 P40763 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
ACHE P22303 1/20 0.30
ALOX5 P09917 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
SCHEMBL16812641 0.91 THRB (0.44) THRBGAAL3MBTL1LMNA
SCHEMBL16812655 0.91 THRB (0.37) THRBL3MBTL1
SCHEMBL16812629 0.90 ALDH5A1 (0.34) THRBGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL23627428 0.89 THRB (0.33) THRBL3MBTL1
SCHEMBL17123020 0.88 L3MBTL1 (0.44) THRBGAAKMT2AL3MBTL1LMNA
SCHEMBL17123016 0.86 THRB (0.40) TGM2THRBGAALMNAALOX5
SCHEMBL16812649 0.86 PTGS1 (0.33) THRBGAAKMT2AALDH1A1
SCHEMBL17123041 0.85 CYP1A2 (0.34) THRBL3MBTL1
SCHEMBL17123033 0.85 CYP1A2 (0.34) THRBL3MBTL1
SCHEMBL17123019 0.83 L3MBTL1 (0.40) THRBMEN1GAAKMT2AL3MBTL1

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