SCHEMBL751093

SCHEMBL751093

CC(C)(C)c1ccc(CN(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.39
SRC P12931 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
TACR1 P25103 5/20 0.35
GAA P10253 1/20 0.34
SLC13A5 Q86YT5 1/20 0.33
SLC2A1 P11166 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33

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 0.90 TP53 (0.39) SRCPTGDR2GAASLC13A5SLC2A1
SCHEMBL749644 0.89 TACR1 (0.39) CETPSRCPTGDR2TACR1SLC13A5
SCHEMBL745530 0.89 HDAC1 (0.41) SRCPTGDR2SLC13A5
SCHEMBL748197 0.89 SRC (0.36) SRCPTGDR2SLC13A5
SCHEMBL747722 0.88 ESRRG (0.41) SRCSLC13A5
SCHEMBL749993 0.87 LPAR1 (0.39) SRCSLC13A5
SCHEMBL751065 0.87 SRC (0.38) SRCPTGDR2SLC13A5SLC2A1
SCHEMBL748116 0.87 SRC (0.39) SRCPTGDR2TACR1GAASLC13A5
SCHEMBL750133 0.87 SRC (0.36) SRCTACR1SLC13A5
SCHEMBL749647 0.87 LMNA (0.39) GAA

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