SCHEMBL3812261

SCHEMBL3812261

CC(C)(C)OC(=O)N1CCCCC1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.46
KDM1A O60341 1/20 0.44
NPC1 O15118 1/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
ABHD6 Q9BV23 3/20 0.44
CHEK2 O96017 1/20 0.43
HDAC1 Q13547 1/20 0.42
PDE8B O95263 1/20 0.42
HSD11B1 P28845 1/20 0.42
ATM Q13315 2/20 0.41
KLK7 P49862 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT5 O14744 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL24881522 0.88 KDM1A (0.46) DAGLAKDM1ANPC1NR1H2NR1H3
SCHEMBL22036268 0.87 HPGD (0.49) DAGLAKDM1ANR1H2NR1H3ABHD6
SCHEMBL27854990 0.85 NR1H2 (0.54) DAGLAKDM1ANR1H2NR1H3ABHD6
SCHEMBL698422 0.85 NR1H2 (0.54) DAGLAKDM1ANR1H2NR1H3ABHD6
SCHEMBL698218 0.85 NR1H2 (0.54) DAGLAKDM1ANR1H2NR1H3ABHD6
SCHEMBL10132334 0.84 NPSR1 (0.50) NPC1NR1H2NR1H3KMT2A
SCHEMBL5155186 0.84 NPC1 (0.47) KDM1ANPC1NR1H2NR1H3CHEK2
SCHEMBL10132250 0.83 CCR3 (0.47) DAGLANPC1NR1H2NR1H3ABHD6
SCHEMBL1992473 0.83 FPR3 (0.52) KDM1ANPC1NR1H2NR1H3ATM
SCHEMBL1992474 0.83 FPR3 (0.52) KDM1ANPC1NR1H2NR1H3ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343760-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2009-08-12 EP disclosed
EP-1343760-A2 MUSCARINIC ANTAGONISTS Schering Corporation (US) 2003-09-17 EP disclosed
US-6458812-B1 KIT AND METHOD FOR COGNITION ACTIVATION SCHERING CORPORATION 2002-10-01 US disclosed
WO-2002051808-A2 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 2002-07-04 WO disclosed