SCHEMBL3629004

SCHEMBL3629004

CCCCOC(=O)NC(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 9/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
NAAA Q02083 4/20 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
SCHEMBL8069532 0.93 NAAA (0.45) EPHX1ACHEALDH1A1GAAMAPK1
SCHEMBL4629907 0.89 GNAI3 (0.52) EPHX1ACHEALDH1A1GAAMAPK1
SCHEMBL14335892 0.81 TRPM8 (0.50) ALDH1A1GAAMAPK1
SCHEMBL590532 0.80 EPHX1 (0.59) EPHX1ACHEALDH1A1ATM
SCHEMBL25326797 0.78 GAA (0.49) EPHX1ACHEALDH1A1GAAMAPK1
SCHEMBL9197261 0.77 EPHX1 (0.55) EPHX1ACHEALDH1A1ATM
SCHEMBL5497744 0.76 EPHX1 (0.43) EPHX1ACHEALDH1A1GAAMAPK1
SCHEMBL552606 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ATMNAAA
SCHEMBL9395279 0.75 EPHX1 (0.53) EPHX1ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL7447192 0.75 EPHX1 (0.53) EPHX1ACHEALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed