SCHEMBL13844634

SCHEMBL13844634

CC(C)(O)C(=O)N1CC2CC2C1CNCCc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.47
KCNH2 Q12809 8/20 0.47
EPHX2 P34913 2/20 0.47
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13844732 0.92 LTA4H (0.46) LTA4HKCNH2EPHX2PPARGPPARA
SCHEMBL13844745 0.92 LTA4H (0.42) LTA4HKCNH2EPHX2
SCHEMBL13844734 0.90 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL13844809 0.89 LTA4H (0.52) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844691 0.88 LTA4H (0.49) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844807 0.88 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844795 0.86 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844609 0.82 LTA4H (0.46) LTA4HKCNH2EPHX2
SCHEMBL13844731 0.82 LTA4H (0.45) LTA4HKCNH2EPHX2
SCHEMBL13844603 0.80 LTA4H (0.45) LTA4HKCNH2EPHX2CYP1A2CYP3A4

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-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed