SCHEMBL13755397

SCHEMBL13755397

CCOC(=O)CCC(OCc1ccccc1)c1cc(F)c(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL13451247 0.86 NPSR1 (0.38) MEN1KMT2AALOX5SMN1; SMN2LMNA
SCHEMBL13755398 0.84 SLC1A3 (0.42) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL13755360 0.76 L3MBTL1 (0.39) KMT2ALMNAL3MBTL1ALDH1A1HPGD
SCHEMBL27911729 0.73 F10 (0.43) ALOX5SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL9139647 0.70 ALOX5 (0.50) ALOX5SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL27493267 0.68 ALDH1A1 (0.61) MEN1KMT2AALOX5SMN1; SMN2LMNA
SCHEMBL21274457 0.67 LTA4H (0.47) MEN1KMT2AALOX5SMN1; SMN2LMNA
SCHEMBL21274456 0.67 LTA4H (0.47) MEN1KMT2AALOX5SMN1; SMN2LMNA
SCHEMBL9785898 0.67 ALDH1A1 (0.49) MEN1KMT2AALOX5SMN1; SMN2LMNA
SCHEMBL27346466 0.67 ALDH1A1 (0.47) MEN1KMT2ASLC1A3SLC1A2SLC1A1

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
US-7575785-B2 use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-7575785-B2 use thereof in liquid-crystalline media, and and to electro-optical display elements containing these liquid-crystalline media; negative dielectric anisotropy MERCK PATENT GMBH (DE) 2009-08-18 US disclosed