SCHEMBL28343752

SCHEMBL28343752

CCCCCCCCCCCCNC(=O)CCSSCCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.61
NAAA Q02083 1/20 0.57
FAAH O00519 4/20 0.50
EPHX2 P34913 3/20 0.50
SLC6A5 Q9Y345 2/20 0.49
DNM1 Q05193 2/20 0.47
EPHX1 P07099 5/20 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
SCHEMBL9502450 0.92 CASP2 (0.71) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL1146790 0.92 CASP2 (0.71) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL9518701 0.92 CASP2 (0.71) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL9518772 0.90 CASP2 (0.68) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL2616429 0.88 CASP2 (0.67) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL25922800 0.87 CASP2 (0.65) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL23394708 0.85 CASP2 (0.62) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL12192205 0.85 CASP2 (0.62) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL21779474 0.85 CASP2 (0.61) CASP2NAAAFAAHEPHX2SLC6A5
SCHEMBL21664563 0.84 CASP2 (0.71) CASP2NAAAFAAHEPHX2SLC6A5

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
CN-110665355-A Deodorant composition containing woody plant essential oil and preparation method thereof 苏州市易柯露环保科技有限公司 2020-01-10 CN disclosed