SCHEMBL746738

SCHEMBL746738

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
SLC13A5 Q86YT5 1/20 0.34
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LPAR1 Q92633 7/20 0.32
LPAR5 Q9H1C0 7/20 0.32
PTGER2 P43116 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
ESRRG P62508 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
PPARD Q03181 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
SCHEMBL749993 0.92 LPAR1 (0.39) SRCSLC13A5HDAC1HDAC6LPAR1
SCHEMBL745530 0.90 HDAC1 (0.41) SRCSLC13A5HDAC1HDAC6LPAR1
SCHEMBL750906 0.89 TP53 (0.39) SRCSLC13A5HDAC1HDAC6LPAR1
SCHEMBL747722 0.89 ESRRG (0.41) SRCSLC13A5HDAC1HDAC6HIF1A
SCHEMBL751065 0.88 SRC (0.38) SRCSLC13A5HDAC1HDAC6HIF1A
SCHEMBL749104 0.87 SLC13A5 (0.35) SLC13A5TAOK1TAOK3LPAR1LPAR5
SCHEMBL750133 0.86 SRC (0.36) SRCSLC13A5HDAC1HDAC6LPAR1
SCHEMBL747958 0.85 TP53 (0.38) SRCSLC13A5LPAR1LPAR5PTGER2
SCHEMBL750950 0.85 SRC (0.36) SRCSLC13A5HDAC1HDAC6HIF1A
SCHEMBL748197 0.85 SRC (0.36) SRCSLC13A5HDAC1HDAC6LPAR1

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