SCHEMBL9640517

SCHEMBL9640517

CCCCCCc1ccc(OC(c2ccc(CCCCCC)cc2CCCCCC)C(CO)(CO)CO)c(CCCCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
APAF1 O14727 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TNNC1 P63316 5/20 0.39
S1PR1 P21453 4/20 0.39
S1PR4 O95977 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
SGPL1 O95470 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39

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
SCHEMBL28602349 0.99 HTT (0.42) HTTMAPTMAPK1APAF1THRB
SCHEMBL542764 0.95 HTT (0.38) HTTMAPTMAPK1APAF1THRB
SCHEMBL5013003 0.88 FUT7 (0.34) HTTMAPTMAPK1APAF1THRB
SCHEMBL5014104 0.88 GABRA1 (0.40)
Pyrophosphoric Acid SCHEMBL472731 0.87 S1PR1 (0.40) HTTMAPTMAPK1APAF1THRB
SCHEMBL997214 0.81 S1PR1 (0.40) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL472730 0.80 S1PR1 (0.41) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL6058927 0.79 THRA (0.45) THRB
SCHEMBL98963 0.79 THRA (0.45) THRB
SCHEMBL7529783 0.79 THRA (0.45) THRB

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-5103035-A Process for preparing bis(alkylphenyl)pentaerythritol diphosphites ETHYL CORPORATION (US) 1992-04-07 US disclosed