SCHEMBL6510503

SCHEMBL6510503

CC(C)(C)OC(=O)CN(N)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
BTK Q06187 1/20 0.33
S1PR1 P21453 1/20 0.33
GAA P10253 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
DPP4 P27487 1/20 0.32
SIGMAR1 Q99720 4/20 0.32

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
SCHEMBL15127785 0.98 BTK (0.34) EPHX1BTKS1PR1GAAPDE4A
SCHEMBL12946742 0.81 EPHX1 (0.39) EPHX1BTKS1PR1GAAPDE4A
SCHEMBL27780875 0.77 BTK (0.35) EPHX1BTK
SCHEMBL7296069 0.75 DPP4 (0.42) DPP4
SCHEMBL20187562 0.74 MEN1 (0.33) EPHX1S1PR1GAADPP4
SCHEMBL6507996 0.73 NFKB1 (0.32)
SCHEMBL27780868 0.73 ELANE (0.35) EPHX1BTKS1PR1
SCHEMBL13269590 0.73 DGAT1 (0.33)
SCHEMBL574102 0.73 BTK (0.36) EPHX1BTKGAADPP4
SCHEMBL11282770 0.72 DPP4 (0.36) DPP4

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-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed