SCHEMBL19686591

SCHEMBL19686591

COC(=O)N1CCC(OC(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
PDE4B Q07343 4/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
EPHX1 P07099 1/20 0.35
BRD4 O60885 1/20 0.34
BRDT Q58F21 1/20 0.34
BTK Q06187 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL17660643 1.00 HSD11B1 (0.40) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8299600 0.89 CYP1A2 (0.42) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14290751 0.85 CHRNB2 (0.48) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18035981 0.82 MEN1 (0.34) HSD11B1KCNQ3KCNQ2BTKALDH1A1
SCHEMBL17660647 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25094200 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18035978 0.82 MEN1 (0.34) HSD11B1KCNQ3KCNQ2BTKALDH1A1
SCHEMBL12448268 0.82 PDE4B (0.35) HSD11B1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15802795 0.82 HPGD (0.47) PDE4BEPHX1PIK3CDALDH1A1
SCHEMBL3332529 0.82 HPGD (0.47) PDE4BEPHX1PIK3CDALDH1A1

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed