SCHEMBL9576111

SCHEMBL9576111

CCCCCCCCCc1cc(OP(Oc2cc(CCCCCCCCC)c(CCCCCCCCC)c(CCCCCCCCC)c2CCCCCCCCC)Oc2cc(CCCCCCCCC)c(CCCCCCCCC)c(CCCCCCCCC)c2CCCCCCCCC)c(CCCCCCCCC)c(CCCCCCCCC)c1CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ ALOX5 P09917 11/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ TYR P14679 2/20 0.37
▸ TSHR P16473 2/20 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
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL9576113 0.87 ALOX5 (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10790735 0.83 TYR (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL130577 0.83 TYR (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10786270 0.83 TYR (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10582531 0.81 HTR2A (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL10576579 0.81 HTR2A (0.42) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL8918392 0.80 HTR2A (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL8920641 0.80 HTR2A (0.41) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL250347 0.80 ALOX5 (0.47) HTR2AALOX5PTGS2TYRTSHR
SCHEMBL29037315 0.80 ALOX5 (0.47) HTR2AALOX5PTGS2TYRTSHR

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
EP-0527274-A1 Photo-deterioration inhibitor and composition containing the same DAIKYO GOMU SEIKO LTD. (JP) 1993-02-17 — — EP disclosed
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