SCHEMBL21370524

SCHEMBL21370524

CCCCCCc1cc(-c2ccc(-c3ccc(Br)cc3C)cc2)c(C)cc1-c1ccc(-c2ccc(Br)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.46
TYR P14679 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.33
NFKB1 P19838 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR3 P46089 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL21370577 0.97 RARB (0.48) RARBTYRMEN1TP53CYP3A4
SCHEMBL18160853 0.85 TYR (0.42) RARBTYRMEN1TP53CYP3A4
SCHEMBL14027824 0.85 TYR (0.42) RARBTYRMEN1TP53CYP3A4
SCHEMBL12798312 0.82 TYR (0.40) RARBTYRMEN1TP53CYP3A4
SCHEMBL5180165 0.82 TYR (0.40) RARBTYRMEN1TP53CYP3A4
SCHEMBL12071278 0.80 RARB (0.42) RARBTP53SMN1; SMN2GPR3LIPG
SCHEMBL18323116 0.80 TP53 (0.38) RARBTYRMEN1TP53CYP3A4
SCHEMBL19846950 0.78 TYR (0.44) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL2947274 0.78 TYR (0.44) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5180184 0.78 TYR (0.44) TYRMEN1TP53CYP3A4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766918-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, AND MANUFACTURING METHOD FOR ORGANIC ELECTROLUMINESCENT ELEMENT Mitsubishi Chemical Corporation (JP) 2021-01-20 EP disclosed
WO-2019177175-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, AND MANUFACTURING METHOD FOR ORGANIC ELECTROLUMINESCENT ELEMENT 三菱ケミカル株式会社 2019-09-19 WO disclosed