SCHEMBL5040035

SCHEMBL5040035

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2c(CCCC)oc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
NAAA Q02083 1/20 0.47
PTPN1 P18031 4/20 0.45
SIRT3 Q9NTG7 2/20 0.45
EYA3 Q99504 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 4/20 0.44
CA2 P00918 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MLYCD O95822 1/20 0.41
HPGD P15428 1/20 0.41

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
Acetic Acid SCHEMBL27738439 0.88 TMEM97 (0.48) TMEM97SIGMAR1NAAAPTPN1SIRT3
SCHEMBL1856867 0.87 TMEM97 (0.50) TMEM97SIGMAR1NAAAPTPN1SIRT3
SCHEMBL1860426 0.85 HDAC3 (0.50) TMEM97SIGMAR1NAAAPTPN1SIRT3
SCHEMBL4331561 0.84 TMEM97 (0.45) TMEM97SIGMAR1NAAAPTPN1SIRT3
SCHEMBL1853850 0.79 NAAA (0.43) TMEM97SIGMAR1NAAAPTPN1SIRT3
SCHEMBL5044615 0.78 TMEM97 (0.60) TMEM97SIGMAR1NAAAL3MBTL1CA2
SCHEMBL5048884 0.76 NAAA (0.55) TMEM97SIGMAR1NAAAL3MBTL1HDAC3
SCHEMBL6726058 0.76 NAAA (0.46) NAAAPTPN1SIRT3EYA3L3MBTL1
SCHEMBL31314643 0.75 EYA3 (0.72) PTPN1SIRT3EYA3NR1H4THRA
SCHEMBL5044268 0.74 NAAA (0.60) TMEM97SIGMAR1NAAAL3MBTL1HDAC3

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