SCHEMBL6236875

SCHEMBL6236875

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
DNM1 Q05193 8/20 0.58
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 2/20 0.48
RAD52 P43351 2/20 0.48
EPHX2 P34913 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
FAAH O00519 2/20 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
SCHEMBL1133890 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
Didecyldimethylammonium SCHEMBL28945159 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL12109953 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL16604559 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL6234110 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL1133870 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL11670759 1.00 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
Water SCHEMBL9175926 0.98 HTT (0.58) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL29750040 0.98 HTT (0.58) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL10975956 0.96 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52

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