SCHEMBL745530

SCHEMBL745530

CC(C)(C)c1ccc(CN(CCc2ccccc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SRC P12931 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LPAR1 Q92633 6/20 0.36
LPAR5 Q9H1C0 6/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 2/20 0.35
ESRRG P62508 1/20 0.35
NPC1 O15118 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BMP1 P13497 1/20 0.35
RCE1 Q9Y256 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL750906 0.94 TP53 (0.39) HDAC1HDAC6SRCSLC13A5PTGDR2
SCHEMBL747722 0.94 ESRRG (0.41) HDAC1HDAC6SRCSLC13A5BCHE
SCHEMBL749993 0.93 LPAR1 (0.39) HDAC1HDAC6SRCSLC13A5LPAR1
SCHEMBL751065 0.93 SRC (0.38) HDAC1HDAC6SRCSLC13A5PTGDR2
SCHEMBL750133 0.91 SRC (0.36) HDAC1HDAC6SRCSLC13A5SIGMAR1
SCHEMBL746738 0.90 SRC (0.36) HDAC1HDAC6SRCSLC13A5LPAR1
SCHEMBL747958 0.90 TP53 (0.38) SRCSLC13A5TMEM97SIGMAR1LPAR1
SCHEMBL749647 0.89 LMNA (0.39) TMEM97SIGMAR1RAB9ANPC1MEN1
SCHEMBL750950 0.89 SRC (0.36) HDAC1HDAC6SRCSLC13A5TMEM97
SCHEMBL748197 0.89 SRC (0.36) HDAC1HDAC6SRCSLC13A5TMEM97

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