SCHEMBL747958

SCHEMBL747958

CC(C)(C)c1ccc(CN(CCCc2ccc(F)cc2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 2/20 0.37
SLC13A5 Q86YT5 1/20 0.36
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER2 P43116 2/20 0.34
LPAR1 Q92633 4/20 0.33
LPAR5 Q9H1C0 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HIF1A Q16665 2/20 0.33
SLC2A4 P14672 1/20 0.33
SLC2A8 Q9NY64 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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 0.96 TP53 (0.39) TP53MAPTSRCLMNASLC13A5
SCHEMBL749665 0.93 MAPT (0.42) TP53MAPTSRCLMNASLC13A5
SCHEMBL745530 0.90 HDAC1 (0.41) SRCSLC13A5MEN1KMT2ALPAR1
SCHEMBL747722 0.89 ESRRG (0.41) TP53MAPTSRCLMNASLC13A5
SCHEMBL751065 0.88 SRC (0.38) TP53MAPTSRCLMNASLC13A5
SCHEMBL749993 0.88 LPAR1 (0.39) MAPTSRCLMNASLC13A5SMN1; SMN2
SCHEMBL748116 0.88 SRC (0.39) SRCLMNASLC13A5LPAR1LPAR5
SCHEMBL748197 0.87 SRC (0.36) TP53MAPTSRCLMNASLC13A5
SCHEMBL748241 0.87 LPAR1 (0.36) TP53MAPTSRCSLC13A5KMT2A
SCHEMBL748805 0.86 MAPT (0.36) TP53MAPTLMNASMN1; SMN2MEN1

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