SCHEMBL1855571

SCHEMBL1855571

CCCCCCCCCCCCNC(=O)c1ccc(CN(C(=O)C(=O)O)C(C)C)cc1.CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2cc(Cl)cc(Cl)c2)C(=O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
TMEM97 Q5BJF2 6/20 0.43
SIGMAR1 Q99720 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CA2 P00918 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 3/20 0.41
MLYCD O95822 1/20 0.40
OPRK1 P41145 1/20 0.40
HDAC3 O15379 2/20 0.39

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
SCHEMBL1854949 0.92 NAAA (0.51) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1857690 0.88 NAAA (0.56) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1851111 0.83 TMEM97 (0.50) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1851118 0.83 TMEM97 (0.50) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1854601 0.81 TMEM97 (0.51) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1859658 0.81 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1857574 0.81 NAAA (0.57) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1853512 0.81 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1851125 0.81 NAAA (0.64) NAAATMEM97SIGMAR1L3MBTL1THRA
SCHEMBL1856912 0.81 TMEM97 (0.60) NAAATMEM97SIGMAR1L3MBTL1THRA

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