SCHEMBL1856151

SCHEMBL1856151

CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2ccc(O)cc2)C(=O)C(=O)O)c1.CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2ccc(Oc3ccccc3)cc2)C(=O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
STAT3 P40763 1/20 0.45
TMEM97 Q5BJF2 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CETP P11597 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGES O14684 1/20 0.42
HDAC3 O15379 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL1854062 0.96 NAAA (0.51) NAAASIGMAR1STAT3TMEM97GAA
SCHEMBL1858834 0.93 NAAA (0.52) NAAASIGMAR1TMEM97SMN1; SMN2HDAC3
SCHEMBL1855162 0.89 NAAA (0.60) NAAASIGMAR1TMEM97SMN1; SMN2HDAC3
SCHEMBL1854478 0.88 SIGMAR1 (0.53) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL1859810 0.88 NAAA (0.56) NAAASIGMAR1STAT3TMEM97HDAC3
SCHEMBL1854504 0.86 SIGMAR1 (0.49) NAAASIGMAR1STAT3TMEM97CETP
SCHEMBL1854334 0.86 SIGMAR1 (0.54) NAAASIGMAR1TMEM97GAAMAPT
SCHEMBL5045478 0.86 NAAA (0.54) NAAASIGMAR1STAT3TMEM97GAA
SCHEMBL1855455 0.86 NAAA (0.53) NAAASIGMAR1TMEM97SMN1; SMN2HDAC3
SCHEMBL1850770 0.85 NAAA (0.52) NAAASIGMAR1TMEM97SMN1; SMN2HDAC3

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed