SCHEMBL16714801

SCHEMBL16714801

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 1/20 0.56
FAAH O00519 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
ASAH1 Q13510 1/20 0.55
ACER2 Q5QJU3 1/20 0.55
CNR2 P34972 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
HDAC1 Q13547 1/20 0.49
CERT1 Q9Y5P4 3/20 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
SCHEMBL7015319 0.90 ALDH1A1 (0.52) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL15200212 0.87 ACACA (0.57) ALDH1A1HPGDL3MBTL1
SCHEMBL16714723 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL5599045 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL12215278 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL9472620 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL4139305 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL4183115 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL4139311 0.86 ALDH1A1 (0.72) ALDH1A1HPGDMEN1FAAHMAPK1
SCHEMBL9787232 0.85 ASAH1 (0.56) ALDH1A1MEN1FAAHMAPK1KMT2A

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