SCHEMBL751065

SCHEMBL751065

CC(C)(C)c1ccc(CN(CCc2ccc(Br)cc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
HDAC1 Q13547 2/20 0.36
SLC13A5 Q86YT5 1/20 0.36
HIF1A Q16665 2/20 0.33
ESRRG P62508 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SLC2A1 P11166 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL745530 0.93 HDAC1 (0.41) SRCHDAC6HDAC1SLC13A5ESRRG
SCHEMBL747722 0.92 ESRRG (0.41) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL750906 0.92 TP53 (0.39) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL749993 0.91 LPAR1 (0.39) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL746738 0.88 SRC (0.36) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL747958 0.88 TP53 (0.38) SRCSLC13A5HIF1AMEN1KMT2A
SCHEMBL750133 0.87 SRC (0.36) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL750950 0.87 SRC (0.36) SRCHDAC6HDAC1SLC13A5HIF1A
SCHEMBL749647 0.87 LMNA (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL748197 0.87 SRC (0.36) SRCHDAC6HDAC1SLC13A5HIF1A

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-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed