SCHEMBL6008148

SCHEMBL6008148

CC(C)(C)c1cc(-c2ccccc2)n(Cc2cc[c]cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.52
SORT1 Q99523 5/20 0.52
SLC16A3 O15427 4/20 0.46
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
AGTR1 P30556 1/20 0.42
MCTS1 Q9ULC4 3/20 0.41
SLC16A1 P53985 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2825591 0.83 GRN (0.56) GRNSORT1SLC16A3NPSR1GAA
SCHEMBL2224515 0.78 SLC16A3 (0.49) GRNSORT1SLC16A3NPSR1GAA
SCHEMBL2225699 0.76 SLC16A3 (0.50) GRNSORT1SLC16A3NPSR1GAA
SCHEMBL12050569 0.73 GRN (0.64) GRNSORT1NPSR1GAAMAPT
SCHEMBL13990638 0.73 GRN (0.64) GRNSORT1NPSR1GAAMAPT
SCHEMBL1010749 0.72 GRN (0.62) GRNSORT1NPSR1GAAMAPT
SCHEMBL21919193 0.71 GRN (0.61) GRNSORT1NPSR1GAAMAPT
SCHEMBL20866275 0.71 MAPK14 (0.48) GRNSORT1ALDH1A1SMN1; SMN2NPC1
SCHEMBL27890739 0.70 PTGS1 (0.47) GRNSORT1ALDH1A1SMN1; SMN2NPC1
SCHEMBL20933027 0.70 GRN (0.63) GRNSORT1NPSR1GAAMAPT

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-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP disclosed