SCHEMBL6238894

SCHEMBL6238894

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.51
EPHX2 P34913 5/20 0.50
FAAH O00519 4/20 0.50
NAAA Q02083 1/20 0.49
DNM1 Q05193 2/20 0.48
ALDH1A1 P00352 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46

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
SCHEMBL16289409 1.00 CASP2 (0.51) CASP2EPHX2FAAHNAAADNM1
SCHEMBL12134883 1.00 CASP2 (0.51) CASP2EPHX2FAAHNAAADNM1
SCHEMBL6237083 0.96 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL6239067 0.96 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL16289831 0.96 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL28221663 0.96 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL29411282 0.96 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL6238094 0.93 CASP2 (0.53) CASP2EPHX2FAAHNAAADNM1
SCHEMBL12761238 0.92 CASP2 (0.54) CASP2EPHX2FAAHNAAADNM1
SCHEMBL28221043 0.92 CASP2 (0.54) CASP2EPHX2FAAHNAAADNM1

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-7314706-B2 Photothermographic material and manufacturing method FUJIFILM CORPORATION (JP) 2008-01-01 US disclosed
US-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed