SCHEMBL6235592

SCHEMBL6235592

CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCOP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.59
PLA2G1B P04054 2/20 0.59
MMP2 P08253 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
HSP90AA1 P07900 1/20 0.59
LPAR3 Q9UBY5 8/20 0.53
LPAR1 Q92633 6/20 0.53
LPAR2 Q9HBW0 4/20 0.53
LPAR5 Q9H1C0 2/20 0.49
RAD52 P43351 1/20 0.48
SMPD1 P17405 3/20 0.45
SGPL1 O95470 4/20 0.44
LPAR6 P43657 1/20 0.43
LPAR4 Q99677 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL6237246 1.00 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6243942 1.00 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9738872 1.00 PSMD14 (0.59) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9738866 0.90 PSMD14 (0.60) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9836097 0.90 PSMD14 (0.60) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9738875 0.89 PLA2G1B (0.56) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL9836109 0.89 PLA2G1B (0.56) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6235250 0.87 LPAR5 (0.68) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6234843 0.87 LPAR5 (0.68) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL6236700 0.87 LPAR5 (0.68) 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 3 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-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
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