SCHEMBL6238094

SCHEMBL6238094

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.53
FAAH O00519 4/20 0.51
NAAA Q02083 1/20 0.50
DNM1 Q05193 2/20 0.49
EPHX2 P34913 5/20 0.48
ALDH1A1 P00352 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47

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
SCHEMBL29411282 0.94 CASP2 (0.53) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6239067 0.94 CASP2 (0.53) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6237083 0.94 CASP2 (0.53) CASP2FAAHNAAADNM1EPHX2
SCHEMBL16289831 0.94 CASP2 (0.53) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6238894 0.93 CASP2 (0.51) CASP2FAAHNAAADNM1EPHX2
SCHEMBL12134883 0.93 CASP2 (0.51) CASP2FAAHNAAADNM1EPHX2
SCHEMBL16289409 0.93 CASP2 (0.51) CASP2FAAHNAAADNM1EPHX2
SCHEMBL28221663 0.92 CASP2 (0.53) CASP2FAAHNAAADNM1EPHX2
SCHEMBL12761238 0.90 CASP2 (0.54) CASP2FAAHNAAADNM1EPHX2
SCHEMBL28221043 0.90 CASP2 (0.54) CASP2FAAHNAAADNM1EPHX2

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