SCHEMBL5048875

SCHEMBL5048875

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
NAAA Q02083 2/20 0.52
MLYCD O95822 1/20 0.50
TMEM97 Q5BJF2 6/20 0.49
SIGMAR1 Q99720 6/20 0.49
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HSP90AA1 P07900 1/20 0.45
HDAC3 O15379 4/20 0.45
ALOX15 P16050 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL5039799 0.87 L3MBTL1 (0.53) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL1854949 0.86 NAAA (0.51) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5047873 0.85 LMNA (0.54) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5044615 0.85 TMEM97 (0.60) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5045657 0.83 NAAA (0.71) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5040097 0.82 NPC1 (0.68) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL1855571 0.80 NAAA (0.44) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5044268 0.79 NAAA (0.60) L3MBTL1NAAATMEM97SIGMAR1CA2
SCHEMBL10595825 0.79 L3MBTL1 (0.73) L3MBTL1THRATHRBNAAAMLYCD
SCHEMBL5694370 0.79 L3MBTL1 (0.73) L3MBTL1THRATHRBNAAAMLYCD

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