SCHEMBL6238035

SCHEMBL6238035

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
FAAH O00519 5/20 0.46
NAAA Q02083 1/20 0.44
DNM1 Q05193 2/20 0.44
EPHX2 P34913 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC6A5 Q9Y345 2/20 0.42
PSMD14 O00487 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL6239701 1.00 CASP2 (0.47) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6237088 1.00 CASP2 (0.47) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6242456 1.00 CASP2 (0.47) CASP2FAAHNAAADNM1EPHX2
Water SCHEMBL6236533 0.99 CASP2 (0.46) CASP2FAAHNAAADNM1EPHX2
SCHEMBL28221623 0.98 CASP2 (0.47) CASP2FAAHNAAADNM1EPHX2
SCHEMBL18655676 0.96 CASP2 (0.48) CASP2FAAHNAAADNM1EPHX2
SCHEMBL15057406 0.94 FAAH (0.44) CASP2FAAHNAAADNM1EPHX2
SCHEMBL15057437 0.94 FAAH (0.44) CASP2FAAHNAAADNM1EPHX2
SCHEMBL25548108 0.93 EPHX2 (0.55) EPHX2ALDH1A1SLC6A5
Betaine SCHEMBL6289640 0.92 EPHX2 (0.43) 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