SCHEMBL9876444

SCHEMBL9876444

CCCCCCCCCCCCCCCCCCCc1ccc2cc(C)ccc(OC(C)OC(C)OC)c1-2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
ALOX5 P09917 6/20 0.35
PTGS2 P35354 3/20 0.35
ICMT O60725 4/20 0.34
SPHK2 Q9NRA0 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GCGR P47871 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TYR P14679 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL9875998 0.82 ALOX5 (0.48) HTR2AALOX5PTGS2TDP1GAA
SCHEMBL9876233 0.80 ALOX5 (0.40) HTR2AALOX5PTGS2GCGR
SCHEMBL9876445 0.77 ALOX5 (0.34) HTR2AALOX5PTGS2TDP1GAA
SCHEMBL9876447 0.74 ALDH1A1 (0.41) ALOX5PTGS2TDP1GAAL3MBTL1
SCHEMBL9875633 0.73 GCGR (0.32) HTR2AALOX5PTGS2SPHK2TDP1
SCHEMBL9876658 0.72 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9875198 0.72 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9876459 0.72 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9876488 0.68 CNR2 (0.39) HTR2AMEN1KMT2AMAPTHTT
SCHEMBL15186292 0.68 HTR2A (0.53) HTR2AALOX5PTGS2TDP1GAA

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed