SCHEMBL6236836

SCHEMBL6236836

CCCCCCCCCCCCC(C)[N+](C)(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.43
PLA2G1B P04054 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
TP53 P04637 1/20 0.42
GPR84 Q9NQS5 8/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
ACE2 Q9BYF1 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL6236746 1.00 PSMD14 (0.43) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL19137807 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL7877198 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL19137792 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL8776490 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL11409643 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL17360998 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL17360989 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL17361029 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL7525608 0.79 GPR84 (0.52) PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed