SCHEMBL16714725

SCHEMBL16714725

CCCCCCCC(=O)NC(C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 6/20 0.58
ALDH1A1 P00352 5/20 0.57
ASAH1 Q13510 1/20 0.57
ACER2 Q5QJU3 1/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.57
ACACB O00763 6/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.50

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
SCHEMBL27959245 1.00 ACACA (0.58) ACACAALDH1A1ASAH1ACER2HPGD
SCHEMBL5599045 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL12215278 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL4139311 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL16714723 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL4139305 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL9472620 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL4183115 0.88 ALDH1A1 (0.72) ALDH1A1ASAH1ACER2HPGDGAA
SCHEMBL9787232 0.81 ASAH1 (0.56) ALDH1A1ASAH1ACER2KMT2AMAPT
SCHEMBL16714801 0.81 ALDH1A1 (0.58) ALDH1A1ASAH1ACER2HPGDKMT2A

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
US-20150140588-A1 Lipase Variants and Polynucleotides Encoding Same NOVOZYMES A/S (DK) 2015-05-21 US disclosed