SCHEMBL10728408

SCHEMBL10728408

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.46
▸ SLC6A5 Q9Y345 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ XIAP P98170 1/20 0.43
▸ APLNR P35414 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ACE P12821 2/20 0.38
▸ ACE2 Q9BYF1 2/20 0.38
▸ ELANE P08246 3/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ PLA2G5 P39877 1/20 0.38
▸ BIRC2 Q13490 1/20 0.37
▸ ASAH2 Q9NR71 1/20 0.37

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
SCHEMBL10728411 1.00 FAAH (0.46) FAAHSLC6A5SMN1; SMN2XIAPAPLNR
SCHEMBL10728822 0.92 FAAH (0.53) FAAHSLC6A5SMN1; SMN2APLNRACE
SCHEMBL10728366 0.92 FAAH (0.53) FAAHSLC6A5SMN1; SMN2APLNRACE
SCHEMBL10728359 0.92 FAAH (0.53) FAAHSLC6A5SMN1; SMN2APLNRACE
SCHEMBL8615903 0.91 XIAP (0.48) XIAPAPLNRTP53ELANE
SCHEMBL8920639 0.91 XIAP (0.48) XIAPAPLNRTP53ELANE
SCHEMBL10728795 0.88 FAAH (0.49) FAAHSLC6A5SMN1; SMN2ACEACE2
SCHEMBL10728862 0.88 FAAH (0.49) FAAHSLC6A5SMN1; SMN2ACEACE2
SCHEMBL10728801 0.88 FAAH (0.49) FAAHSLC6A5SMN1; SMN2ACEACE2
SCHEMBL10723283 0.88 APLNR (0.42) FAAHSLC6A5SMN1; SMN2APLNRACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665053-A HYDROPHOBIC CARBOXYLIC MODIFIER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1987-05-12 — — US claimed
US-4665053-A HYDROPHOBIC CARBOXYLIC MODIFIER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1987-05-12 — — US disclosed
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