SCHEMBL5859441

SCHEMBL5859441

CCCCCCCCCCCCc1cc(OB(O)O)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.45
TSHR P16473 2/20 0.41
ALOX5 P09917 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TYR P14679 2/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LPL P06858 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
CNR2 P34972 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 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
SCHEMBL5858851 1.00 LIPG (0.45) LIPGTSHRALOX5MEN1KMT2A
SCHEMBL5859433 0.94 TYR (0.38) LIPGTSHRALOX5MEN1KMT2A
SCHEMBL28305336 0.88 LIPG (0.47) LIPGTSHRALOX5MEN1KMT2A
SCHEMBL14583346 0.81 CNR2 (0.50) TSHRMEN1KMT2ACYP3A4TP53
SCHEMBL23153214 0.79 PTGS2 (0.44) ALOX5TDP1PTGS2
SCHEMBL14355888 0.79 MGLL (0.40) TSHRALOX5MEN1KMT2ATYR
SCHEMBL31470219 0.77 SHBG (0.35) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5861531 0.77 MTNR1A (0.46) LIPGALOX5MEN1KMT2AALDH1A1
SCHEMBL3683529 0.77 PLK1 (0.48) TSHRALOX5MEN1KMT2ATYR
SCHEMBL6764069 0.77 MTNR1A (0.46) LIPGALOX5MEN1KMT2AALDH1A1

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
US-7087353-B2 Non-contact heat fixing toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2006-08-08 US disclosed
US-20040142263-A1 Non-contact heat fixing toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. 2004-07-22 US disclosed