SCHEMBL29173835

SCHEMBL29173835

CCCCCCCCCCCCCCCc1ccc(CNCCCCCCCCCCCCCC)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.52
▸ S1PR3 Q99500 8/20 0.52
▸ S1PR2 O95136 6/20 0.52
▸ S1PR4 O95977 3/20 0.52
▸ PPARA Q07869 1/20 0.51
▸ LPAR2 Q9HBW0 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ CA12 O43570 2/20 0.49
▸ CA2 P00918 2/20 0.49

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
SCHEMBL29173822 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL29173826 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL30746857 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL29173834 0.88 S1PR2 (0.43) S1PR1S1PR3S1PR2S1PR4
SCHEMBL4960346 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5
SCHEMBL4957861 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5
SCHEMBL9651371 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5
SCHEMBL4958674 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5
SCHEMBL4961630 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5
SCHEMBL31414346 0.82 TYR (0.71) PPARAMEN1TP53CYP3A4ALOX5

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
CN-117512984-A Imine-containing hydrophobic fabric and preparation method and application thereof 海泰纺织(苏州)有限公司 2024-02-06 — — CN claimed
CN-117512984-A Imine-containing hydrophobic fabric and preparation method and application thereof 海泰纺织(苏州)有限公司 2024-02-06 — — CN disclosed
Send feedback