SCHEMBL750133

SCHEMBL750133

CC(C)(C)c1ccc(CN(CCc2ccc3ccccc3c2)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
CES2 O00748 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
XIAP P98170 1/20 0.33
BIRC3 Q13489 1/20 0.33
BIRC2 Q13490 1/20 0.33
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL745530 0.91 HDAC1 (0.41) SRCSIGMAR1HDAC1HDAC6SLC13A5
SCHEMBL749993 0.89 LPAR1 (0.39) SRCHDAC1HDAC6SLC13A5MEN1
SCHEMBL749647 0.89 LMNA (0.39) SIGMAR1MEN1KMT2ALMNAKCNH2
SCHEMBL750950 0.89 SRC (0.36) SRCSIGMAR1HDAC1HDAC6SLC13A5
SCHEMBL748197 0.89 SRC (0.36) SRCSIGMAR1HDAC1HDAC6SLC13A5
SCHEMBL747722 0.88 ESRRG (0.41) SRCHDAC1HDAC6SLC13A5BCHE
SCHEMBL750906 0.88 TP53 (0.39) SRCHDAC1HDAC6SLC13A5MEN1
Hydrochloric Acid SCHEMBL751875 0.88 SRC (0.36) SRCSIGMAR1HDAC1HDAC6SLC13A5
SCHEMBL751838 0.88 ACHE (0.43) SRCSIGMAR1HDAC1HDAC6SLC13A5
SCHEMBL751065 0.87 SRC (0.38) SRCHDAC1HDAC6SLC13A5BCHE

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