SCHEMBL28071027

SCHEMBL28071027

CCCCc1ccc(C(O)C(CO)(CO)CO)c(CCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
TNNC1 P63316 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR4 O95977 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
SGPL1 O95470 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR2 O95136 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL28762329 0.92 S1PR1 (0.35) SKP2TNNC1S1PR1S1PR4S1PR3
SCHEMBL542764 0.79 HTT (0.38) S1PR1S1PR4S1PR3S1PR5NPC1
SCHEMBL28602349 0.75 HTT (0.42) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL27354513 0.75 CYSLTR2 (0.50) PPARA
SCHEMBL9640517 0.74 HTT (0.41) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL18242462 0.74 SKP2 (0.44) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL29440730 0.73 CYSLTR2 (0.38) PPARA
SCHEMBL18241950 0.73 SKP2 (0.46) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL18242313 0.72 SKP2 (0.45) SKP2HPGDNPC1RAB9AMAPK1
Pyrophosphoric Acid SCHEMBL472731 0.72 S1PR1 (0.40) S1PR1S1PR4S1PR3S1PR5NPC1

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
CN-102994036-B Resin composition for ultraviolet curable adhesive and sticker DIC株式会社 2016-07-27 CN disclosed