SCHEMBL8729157

SCHEMBL8729157

CC(C)(C)OC(=O)NCCC1CCC(P(=O)(O)COc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.46
ACACA Q13085 5/20 0.46
IDO1 P14902 1/20 0.41
DRD2 P14416 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CHRM4 P08173 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL8758112 0.84 TSHR (0.45) CHRM4
SCHEMBL8733840 0.82 CTSK (0.40) ACACBACACA
SCHEMBL8758776 0.79 TSHR (0.47)
SCHEMBL8729155 0.78 NAMPT (0.43) CA12CA1CA2CA9
SCHEMBL8729746 0.77 CYP2C9 (0.47)
SCHEMBL12648114 0.74 EPHX1 (0.55) ACACBDRD2SIRT2SIRT1SIRT3
SCHEMBL4703208 0.74 CHRM4 (0.56) ACACBACACADRD2CKS1BSKP1
SCHEMBL17675706 0.72 CA12 (0.67) IDO1KDM4EPKMCA12CA1
SCHEMBL32665296 0.72 CHRM4 (0.56) CHRM4
SCHEMBL803459 0.72 ACHE (0.67) CHRM4

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
US-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed