SCHEMBL28041003

SCHEMBL28041003

CCCCCCCCCCCCSC(CC(=O)c1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PTPN11 Q06124 1/20 0.40
SOAT2 O75908 1/20 0.39
ACAT1 P24752 1/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
PDPK1 O15530 1/20 0.38
LTB4R2 Q9NPC1 3/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
NAAA Q02083 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 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
SCHEMBL28041002 0.83 PDPK1 (0.50) SOAT1SOAT2ACAT1PDPK1MEN1
SCHEMBL14602841 0.82 PDPK1 (0.51) SOAT1SOAT2ACAT1PDPK1CYSLTR2
SCHEMBL28937529 0.82 PDPK1 (0.51) SOAT1SOAT2ACAT1PDPK1CYSLTR2
SCHEMBL14602856 0.82 PDPK1 (0.51) SOAT1SOAT2ACAT1PDPK1CYSLTR2
SCHEMBL9109873 0.81 CYSLTR2 (0.47) SOAT1SOAT2ACAT1CYSLTR2CYSLTR1
SCHEMBL9109323 0.81 CYSLTR2 (0.47) SOAT1SOAT2ACAT1CYSLTR2CYSLTR1
SCHEMBL11667531 0.78 SOAT1 (0.44) SOAT1CNR1CNR2PTPN11SCN1A
SCHEMBL11667218 0.78 SOAT1 (0.44) SOAT1CNR1CNR2PTPN11SCN1A
SCHEMBL11667215 0.77 GMNN (0.49) SOAT1CNR1CNR2PTPN11SCN1A
SCHEMBL11667530 0.77 GMNN (0.49) SOAT1CNR1CNR2PTPN11SCN1A

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-105085339-A Synthetic method for 1-p-biphenylyl-3-phenyl-3-(dodecylthio) propane-1-one ANHUI SHIHUA CHEMICAL CO LTD 2015-11-25 CN disclosed
CN-105085339-A Synthetic method for 1-p-biphenylyl-3-phenyl-3-(dodecylthio) propane-1-one ANHUI SHIHUA CHEMICAL CO LTD 2015-11-25 CN disclosed