SCHEMBL6237192

SCHEMBL6237192

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 3/20 0.53
ATG4B Q9Y4P1 3/20 0.53
HSP90AA1 P07900 3/20 0.53
PSMD14 O00487 2/20 0.53
MMP2 P08253 2/20 0.53
HTT P42858 3/20 0.45
DNM1 Q05193 10/20 0.44
KMT2A Q03164 1/20 0.42
RAD52 P43351 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10937597 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL11770996 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL1104430 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL10933452 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL6237613 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL6242053 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL10934245 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL10934552 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL10937702 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2
SCHEMBL10935342 1.00 PLA2G1B (0.53) PLA2G1BATG4BHSP90AA1PSMD14MMP2

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