SCHEMBL9876439

SCHEMBL9876439

CCCCCCCCCCCCCCc1ccc2ccc(C(C)C)cc(OC)c1-2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
ALOX5 P09917 8/20 0.43
PTGS2 P35354 5/20 0.43
PPARA Q07869 1/20 0.39
PTGS1 P23219 1/20 0.39
ELANE P08246 1/20 0.39
CASR P41180 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9876456 1.00 HTR2A (0.47) HTR2AALOX5PTGS2PPARAPTGS1
SCHEMBL9875962 1.00 HTR2A (0.47) HTR2AALOX5PTGS2PPARAPTGS1
SCHEMBL9876459 0.91 HTR2A (0.46) HTR2AALOX5PTGS2PPARAPTGS1
SCHEMBL9876658 0.91 HTR2A (0.46) HTR2AALOX5PTGS2PPARAPTGS1
SCHEMBL9875198 0.91 HTR2A (0.46) HTR2AALOX5PTGS2PPARAPTGS1
SCHEMBL9875981 0.88 HTR2A (0.37) HTR2AALOX5MEN1TP53CYP3A4
SCHEMBL9876460 0.85 HTR2A (0.39) HTR2AALOX5PTGS2ELANECASR
SCHEMBL9876488 0.82 CNR2 (0.39) HTR2ACASRMEN1MAPTHTT
SCHEMBL9875539 0.79 ALOX5 (0.53) HTR2AALOX5PTGS2PPARAELANE
SCHEMBL9875656 0.79 ALOX5 (0.53) HTR2AALOX5PTGS2PPARAELANE

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