SCHEMBL6470716

SCHEMBL6470716

CCCCCC(=O)NCCCCCCC([NH])=O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.69
FAAH O00519 4/20 0.68
NAAA Q02083 1/20 0.65
DNM1 Q05193 2/20 0.62
EPHX2 P34913 3/20 0.59
SLC6A5 Q9Y345 2/20 0.58
EPHX1 P07099 4/20 0.53
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL9126176 1.00 CASP2 (0.69) CASP2FAAHNAAADNM1EPHX2
SCHEMBL9125283 1.00 CASP2 (0.69) CASP2FAAHNAAADNM1EPHX2
SCHEMBL7773630 0.94 CASP2 (0.60) CASP2FAAHNAAADNM1EPHX2
SCHEMBL21234011 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL20542645 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL23775006 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL22271678 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL21633848 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL1456491 0.90 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL8745625 0.90 CASP2 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed