SCHEMBL9876445

SCHEMBL9876445

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.34
PTGS2 P35354 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 3/20 0.33
CNR2 P34972 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TYR P14679 1/20 0.32

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 0.81 ALOX5 (0.48) ALOX5PTGS2CNR2GAAHTR2A
SCHEMBL9876447 0.77 ALDH1A1 (0.41) ALOX5PTGS2MEN1KMT2AALDH1A1
SCHEMBL9876444 0.77 HTR2A (0.36) ALOX5PTGS2MEN1KMT2AALDH1A1
SCHEMBL7528543 0.71 ALOX5 (0.39) ALOX5PTGS2MEN1KMT2AALDH1A1
SCHEMBL9876488 0.69 CNR2 (0.39) MEN1KMT2AMAPTCNR2NPSR1
SCHEMBL9876658 0.68 HTR2A (0.46) ALOX5PTGS2HTR2A
SCHEMBL9875198 0.68 HTR2A (0.46) ALOX5PTGS2HTR2A
SCHEMBL9876459 0.68 HTR2A (0.46) ALOX5PTGS2HTR2A
SCHEMBL19731472 0.67 ACHE (0.53) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL29589229 0.67 ACHE (0.53) MEN1KMT2AALDH1A1MAPTGAA

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