SCHEMBL183971

SCHEMBL183971

CC(C)CNCc1cccc(CN(CC(C)CCl)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
PTGES O14684 8/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
BCHE P06276 2/20 0.39
SLC2A1 P11166 2/20 0.39
BACE1 P56817 1/20 0.37

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
SCHEMBL184510 0.85 BACE1 (0.40) CA2PTGESGRIN2DGRIN3BGRIN1
SCHEMBL183970 0.76 HDAC1 (0.36) CA2PTGESGRIN2DGRIN3BGRIN1
SCHEMBL15859356 0.73 CA2 (0.49) CA2BCHEBACE1
SCHEMBL185030 0.70 ACLY (0.56) CA2
SCHEMBL1500516 0.69 HDAC1 (0.40) CA2
SCHEMBL6566661 0.68 LOXL2 (0.59) CA2
SCHEMBL18756348 0.66 CA2 (0.59) CA2
SCHEMBL18756484 0.66 CA2 (0.44) CA2BCHEBACE1
SCHEMBL15771123 0.66 LMNA (0.59) CA2
SCHEMBL21799981 0.66 CA2 (0.47) CA2BCHE

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-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed