SCHEMBL10170355

SCHEMBL10170355

C=C(CCCCCCCCCCCCCCCCC)NS(=O)(=O)CCCCCC(=O)NCCCCON

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.43
▸ FAAH O00519 3/20 0.43
▸ EPHX2 P34913 4/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ DNM1 Q05193 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ STS P08842 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL765877 0.91 CASP2 (0.48) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL12334401 0.91 CASP2 (0.48) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL765226 0.87 FAAH (0.48) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL10171436 0.87 FAAH (0.48) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL16327170 0.87 FAAH (0.48) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL10170351 0.83 FAAH (0.47) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL10170582 0.83 FAAH (0.47) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL17740092 0.83 CASP2 (0.62) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL10171347 0.83 CASP2 (0.62) CASP2FAAHEPHX2SLC6A5NAAA
SCHEMBL10171418 0.83 CASP2 (0.62) CASP2FAAHEPHX2SLC6A5NAAA

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
EP-1708755-B1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK HEALTHCARE AG (CH) 2012-03-21 — — EP disclosed
Send feedback