SCHEMBL10946005

SCHEMBL10946005

CCS(=O)(=O)S(=O)(=O)CCCCCS(=O)(=O)S(=O)(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.43
CA2 P00918 6/20 0.39
CES1 P23141 5/20 0.31
CES2 O00748 2/20 0.31
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10943521 1.00 FAAH (0.43) FAAHCA2CES1CES2NPC1
SCHEMBL10946746 0.97 FAAH (0.39) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL10945368 0.90 FAAH (0.33) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL10949619 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10946867 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10946389 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10947424 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10944088 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10945362 0.84 FAAH (0.62) FAAHCA2CES1CES2
SCHEMBL10944845 0.84 FAAH (0.55) FAAHCA2CES1CES2NPC1

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-4544796-A Solvent extraction of aromatic compounds using alkylsulfoxide solvents UOP INC. (US) 1985-10-01 US disclosed