SCHEMBL20120123

SCHEMBL20120123

CC(C)CC1(C)OB(c2ccc3[nH]c(=O)sc3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
PGR P06401 2/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
GRIA1 P42261 4/20 0.31
CMA1 P23946 1/20 0.31
BACE1 P56817 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 2/20 0.30

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
SCHEMBL15799383 0.85 PDE3B (0.46) PDE3BPDE3APGRALDH1A1PKM
SCHEMBL30858208 0.76 CMA1 (0.47) PDE3BPDE3APRMT5WDR77CMA1
SCHEMBL20112973 0.71 PRMT5 (0.37) PRMT5WDR77LPLLIPG
SCHEMBL28391117 0.70 LIPG (0.50) LPLLIPG
SCHEMBL20289678 0.64 LPL (0.34) LPLLIPG
SCHEMBL20106736 0.64 GRIA1 (0.34) GRIA1
SCHEMBL1226551 0.64 LPL (0.42) PDE3BPDE3APRMT5WDR77PKM
SCHEMBL19411660 0.64 PIK3CD (0.38) PGRPRMT5WDR77BACE1LPL
SCHEMBL1519980 0.62 NOS1 (0.54) PDE3BPDE3AALDH1A1LPLLIPG
SCHEMBL22191290 0.62 PGR (0.50) PGRPRMT5WDR77BACE1

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
WO-2018080918-A1 3-ARYL-2H-PYRAZOLO[4,3-B]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed