SCHEMBL746739

SCHEMBL746739

CC(C)(C)c1ccc(CN(CCc2c(Cl)cccc2Cl)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
MBTPS1 Q14703 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
HIF1A Q16665 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GHSR Q92847 2/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL750950 0.90 SRC (0.36) SRCSLC13A5HIF1AHDAC1NR1H4
Hydrochloric Acid SCHEMBL751875 0.89 SRC (0.36) SRCSLC13A5HIF1AHDAC1NR1H4
SCHEMBL745530 0.89 HDAC1 (0.41) SRCSLC13A5HDAC1LPAR1LPAR5
SCHEMBL750906 0.88 TP53 (0.39) SRCSLC13A5HIF1AHDAC1LPAR1
SCHEMBL747722 0.88 ESRRG (0.41) SRCSLC13A5HIF1AHDAC1BCHE
SCHEMBL751065 0.87 SRC (0.38) SRCSLC13A5HIF1AHDAC1HDAC3
SCHEMBL749993 0.87 LPAR1 (0.39) SRCSLC13A5HIF1AHDAC1LPAR1
SCHEMBL747958 0.85 TP53 (0.38) SRCSLC13A5HIF1ALPAR1LPAR5
SCHEMBL748563 0.85 MBTPS1 (0.39) SRCMBTPS1SLC13A5HDAC3LPAR1
SCHEMBL750133 0.85 SRC (0.36) SRCSLC13A5HIF1AHDAC1LPAR1

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