SCHEMBL9848372

SCHEMBL9848372

CCCCCCCCCCCC(=O)NCC(CN)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.69
EPHX2 P34913 3/20 0.56
ALDH1A1 P00352 1/20 0.53
ACER2 Q5QJU3 1/20 0.53
CERT1 Q9Y5P4 3/20 0.52
FAAH O00519 2/20 0.49
MMP2 P08253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NAAA Q02083 2/20 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
SCHEMBL9848444 1.00 ASAH1 (0.69) ASAH1EPHX2ALDH1A1ACER2CERT1
SCHEMBL8776663 0.84 ASAH1 (0.87) ASAH1EPHX2ALDH1A1ACER2CERT1
SCHEMBL18741947 0.83 ASAH1 (0.76) ASAH1EPHX2ALDH1A1ACER2CERT1
SCHEMBL8335749 0.82 ASAH1 (1.00) ASAH1EPHX2ALDH1A1ACER2CERT1
SCHEMBL6646425 0.78 ASAH1 (0.68) ASAH1EPHX2ALDH1A1ACER2MEN1
SCHEMBL9716121 0.78 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1
SCHEMBL9848504 0.78 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1
SCHEMBL18768732 0.77 MMP2 (0.72) ASAH1EPHX2MMP2MEN1KMT2A
SCHEMBL9848496 0.77 ASAH1 (0.67) ASAH1EPHX2ALDH1A1ACER2CERT1
SCHEMBL9848510 0.77 ASAH1 (0.67) ASAH1EPHX2ALDH1A1ACER2CERT1

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-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed