SCHEMBL14116099

SCHEMBL14116099

CC(=O)OCC(=O)NC1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.65
▸ LTA4H P09960 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ POLB P06746 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ADIPOR2 Q86V24 1/20 0.51
▸ ADIPOR1 Q96A54 1/20 0.51

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
SCHEMBL12642613 0.88 SIGMAR1 (0.67) SIGMAR1LTA4HPOLBL3MBTL1
SCHEMBL12642482 0.83 SIGMAR1 (0.72) SIGMAR1
SCHEMBL14116235 0.82 SIGMAR1 (0.74) SIGMAR1LTA4HKCNH2
SCHEMBL14116237 0.81 SIGMAR1 (0.69) SIGMAR1L3MBTL1
SCHEMBL14100581 0.80 SIGMAR1 (0.60) SIGMAR1POLB
SCHEMBL14100732 0.79 SIGMAR1 (0.62) SIGMAR1
SCHEMBL14100464 0.78 SIGMAR1 (0.64) SIGMAR1
SCHEMBL14115981 0.78 SIGMAR1 (0.67) SIGMAR1LTA4HKCNH2
SCHEMBL14100583 0.77 SIGMAR1 (0.63) SIGMAR1POLB
SCHEMBL14116101 0.77 SIGMAR1 (0.63) SIGMAR1

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-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — WO disclosed
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