SCHEMBL9751330

SCHEMBL9751330

CCCCCCCCCc1ccc(OC(C)Oc2ccc(CCCCCCCCC)c(Br)c2Br)c(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
ALOX5 P09917 5/20 0.38
TYR P14679 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LIPG Q9Y5X9 1/20 0.36
PTGS2 P35354 4/20 0.36
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARG P37231 1/20 0.33
CNR2 P34972 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
SCHEMBL9440743 0.94 HTR2A (0.36) HTR2AALOX5TYRTSHRMEN1
SCHEMBL9751184 0.76 MEN1 (0.39) ALOX5TYRTSHRMEN1KMT2A
SCHEMBL9751191 0.76 MEN1 (0.39) ALOX5TYRTSHRMEN1KMT2A
SCHEMBL9751169 0.76 MEN1 (0.39) ALOX5TYRTSHRMEN1KMT2A
SCHEMBL9751245 0.75 TSHR (0.39) ALOX5TYRTSHRMEN1KMT2A
SCHEMBL11616752 0.74 TYR (0.46) HTR2AALOX5TYRTSHRMEN1
SCHEMBL11616253 0.74 TYR (0.46) HTR2AALOX5TYRTSHRMEN1
SCHEMBL11615877 0.74 TYR (0.46) HTR2AALOX5TYRTSHRMEN1
SCHEMBL11615965 0.74 TYR (0.46) HTR2AALOX5TYRTSHRMEN1
SCHEMBL9751201 0.74 HTT (0.38) ALOX5TYRTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388445-A4 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS 1991-07-03 EP disclosed
EP-0388445-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-09-26 EP disclosed
WO-1990000165-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-11 WO disclosed