SCHEMBL747722

SCHEMBL747722

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
SRC P12931 1/20 0.39
ESRRB O95718 4/20 0.36
SLC13A5 Q86YT5 1/20 0.36
HIF1A Q16665 2/20 0.35
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TP53 P04637 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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 0.94 HDAC1 (0.41) ESRRGHDAC1HDAC6SRCSLC13A5
SCHEMBL750906 0.93 TP53 (0.39) ESRRGHDAC1HDAC6SRCSLC13A5
SCHEMBL749993 0.92 LPAR1 (0.39) HDAC1HDAC6SRCSLC13A5HIF1A
SCHEMBL751065 0.92 SRC (0.38) ESRRGHDAC1HDAC6SRCSLC13A5
SCHEMBL746738 0.89 SRC (0.36) ESRRGHDAC1HDAC6SRCSLC13A5
SCHEMBL747958 0.89 TP53 (0.38) SRCSLC13A5HIF1ALMNAMAPT
SCHEMBL750133 0.88 SRC (0.36) HDAC1HDAC6SRCSLC13A5HIF1A
SCHEMBL750950 0.88 SRC (0.36) HDAC1HDAC6SRCSLC13A5HIF1A
SCHEMBL748197 0.88 SRC (0.36) HDAC1HDAC6SRCSLC13A5HIF1A
SCHEMBL749647 0.88 LMNA (0.39) LMNAMAPTALDH1A1HPGDHTT

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