SCHEMBL5044213

SCHEMBL5044213

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)c2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
SIGMAR1 Q99720 3/20 0.48
TMEM97 Q5BJF2 2/20 0.48
CETP P11597 1/20 0.47
HDAC3 O15379 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MLYCD O95822 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL5044086 0.89 SPHK2 (0.57) NAAASIGMAR1TMEM97HDAC3MEN1
SCHEMBL1239602 0.87 NAAA (0.50) NAAASIGMAR1TMEM97CETPHDAC3
SCHEMBL1853317 0.87 NAAA (0.66) NAAASIGMAR1TMEM97HDAC3L3MBTL1
SCHEMBL5044268 0.85 NAAA (0.60) NAAASIGMAR1TMEM97HDAC3MEN1
SCHEMBL5048883 0.81 HDAC3 (0.60) NAAASIGMAR1TMEM97HDAC3MEN1
SCHEMBL5045478 0.81 NAAA (0.54) NAAASIGMAR1TMEM97CETPMEN1
SCHEMBL1859810 0.81 NAAA (0.56) NAAASIGMAR1TMEM97HDAC3MEN1
SCHEMBL1854504 0.80 SIGMAR1 (0.49) NAAASIGMAR1TMEM97CETPMEN1
SCHEMBL27571120 0.80 NAAA (0.72) NAAAHDAC3MEN1KMT2AL3MBTL1
SCHEMBL1239475 0.80 NAAA (0.53) NAAASIGMAR1TMEM97HDAC3MEN1

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed