SCHEMBL751838

SCHEMBL751838

CC(C)(C)c1ccc(CN(CCc2cccc3ccccc23)C(=O)Oc2cccc3c2NCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
BCHE P06276 5/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL748241 0.89 LPAR1 (0.36) ACHEKMT2ASRCBCHENPSR1
SCHEMBL745530 0.88 HDAC1 (0.41) ACHESIGMAR1MEN1KMT2ASRC
SCHEMBL750133 0.88 SRC (0.36) ACHENR1I2LMNAADRA2ACYP2D6
SCHEMBL749530 0.86 NR1I2 (0.45) ACHENR1I2LMNAADRA2ACYP2D6
SCHEMBL747722 0.86 ESRRG (0.41) ACHELMNAHPGDSRCHDAC1
SCHEMBL750906 0.86 TP53 (0.39) LMNAMEN1KMT2ASRCHDAC1
SCHEMBL749993 0.85 LPAR1 (0.39) LMNAMEN1HPGDKMT2ASRC
SCHEMBL751065 0.85 SRC (0.38) ACHELMNAMEN1HPGDKMT2A
SCHEMBL746739 0.84 SRC (0.37) ACHELMNAHPGDSRCHDAC1
SCHEMBL747958 0.83 TP53 (0.38) LMNASIGMAR1MEN1KMT2ASRC

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