SCHEMBL6726058

SCHEMBL6726058

CCCCCCCCCCCCNC(=O)c1ccc(C(Cc2c(CCCC)oc3ccccc23)NC(=O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
SIRT3 Q9NTG7 6/20 0.42
PTPN1 P18031 4/20 0.41
EYA3 Q99504 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 3/20 0.39
FOLH1 Q04609 2/20 0.38

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
SCHEMBL1853850 0.79 NAAA (0.43) NAAASIRT3PTPN1EYA3L3MBTL1
SCHEMBL1860426 0.77 HDAC3 (0.50) NAAASIRT3PTPN1EYA3L3MBTL1
SCHEMBL1856867 0.77 TMEM97 (0.50) NAAASIRT3PTPN1EYA3L3MBTL1
SCHEMBL5040035 0.76 TMEM97 (0.48) NAAASIRT3PTPN1EYA3L3MBTL1
Acetic Acid SCHEMBL27738439 0.76 TMEM97 (0.48) NAAASIRT3PTPN1EYA3L3MBTL1
SCHEMBL1852984 0.72 MLYCD (0.51) NAAAL3MBTL1CA2SMN1; SMN2FOLH1
SCHEMBL31314643 0.72 EYA3 (0.72) SIRT3PTPN1EYA3
SCHEMBL4331561 0.71 TMEM97 (0.45) NAAASIRT3PTPN1EYA3L3MBTL1
SCHEMBL6022117 0.70 PTPN1 (0.51) SIRT3PTPN1EYA3HDAC3
SCHEMBL1862629 0.70 NAAA (0.55) NAAAL3MBTL1CA2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed