SCHEMBL5037159

SCHEMBL5037159

O=C(CCCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CC(S(=O)(=O)O)C1=O.O=C(CCCc1ccc(N2C(=O)C=CC2=O)cc1)ON1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.39
MGLL Q99685 6/20 0.39
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
DDAH1 O94760 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL45163 1.00 FAAH (0.39) FAAHMGLLALDH1A1NPSR1HSP90AA1
SCHEMBL5805436 0.88 ALDH1A1 (0.34) FAAHALDH1A1NPSR1HSP90AA1HPGD
SCHEMBL24393467 0.85 FAAH (0.31) FAAHMGLL
SCHEMBL27634428 0.85 FAAH (0.32) FAAHMGLL
SCHEMBL18353699 0.85 NAAA (0.38) FAAHMGLLTDP1SMN1; SMN2
SCHEMBL10032833 0.84 FAAH (0.44) FAAHMGLLALDH1A1NPSR1HSP90AA1
SCHEMBL15080490 0.82 FAAH (0.40) FAAHMGLLALDH1A1NPSR1HSP90AA1
SCHEMBL157132 0.82 MGLL (0.37) FAAHMGLL
SCHEMBL9055859 0.82 MGLL (0.37) FAAHMGLL
SCHEMBL43979 0.80 MGLL (0.48) FAAHMGLLALDH1A1NPSR1HSP90AA1

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
EP-1986609-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME University of Massachusetts (US) 2008-11-05 EP disclosed
WO-2007089607-A2 RNA SILENCING AGENTS FOR USE IN THERAPY AND NANOTRANSPORTERS FOR EFFICIENT DELIVERY OF SAME UNIVERSITY OF MASSACHUSETTS (US) 2007-08-09 WO disclosed