SCHEMBL8729155

SCHEMBL8729155

CC(C)(C)OC(=O)NCCc1ccc(OCP(=O)(O)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
EPHX1 P07099 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 1/20 0.39
IGF1R P08069 1/20 0.38
GLA P06280 1/20 0.38
PTPN1 P18031 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8728998 0.83 CA2 (0.48) NAMPTKMT2ACA1CA2CA12
SCHEMBL8733831 0.82 ACACB (0.45)
SCHEMBL8758157 0.79 KMT2A (0.47) EPHX1KMT2AMEN1ALDH1A1HRH3
SCHEMBL8729157 0.78 ACACB (0.46) CA1CA2CA12CA9
SCHEMBL28463594 0.78 NAMPT (0.49) NAMPTKMT2ACA1CA2CA12
SCHEMBL8230392 0.77 GLA (0.47) NAMPTKMT2ACA1CA2CA12
SCHEMBL8729156 0.76 NAMPT (0.42) NAMPTEPHX1KMT2AMEN1CA1
SCHEMBL27741033 0.76 ACACB (0.59) NAMPTKMT2ACA1CA2CA12
SCHEMBL23291146 0.75 HRH3 (0.55) HRH3
SCHEMBL23291176 0.75 HRH3 (0.55) HRH3

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