SCHEMBL24137992

SCHEMBL24137992

CC(C)S(=O)(=O)NCCCC[C@H](O)CO

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.62
GRIA4 P48058 2/20 0.34
NPY5R Q15761 5/20 0.33
THRB P10828 1/20 0.32
HTR1A P08908 1/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
KCNH2 Q12809 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL14652011 0.79 GRIA1 (0.75) GRIA1GRIA4NPY5RHTR1ATP53
SCHEMBL7109326 0.78 GRIA1 (1.00) GRIA1GRIA4NPY5RCA1CA2
SCHEMBL7039391 0.78 GRIA1 (1.00) GRIA1GRIA4NPY5RCA1CA2
SCHEMBL7042049 0.78 GRIA1 (1.00) GRIA1GRIA4NPY5RCA1CA2
SCHEMBL12449173 0.77 GRIA1 (0.71) GRIA1GRIA4NPY5RHTR1ACA1
SCHEMBL2058109 0.75 THRB (0.44) THRBTP53ACACBACACA
SCHEMBL2057715 0.73 THRB (0.42) THRBACACBACACA
SCHEMBL2057812 0.73 THRB (0.42) THRBACACBACACA
SCHEMBL23542459 0.72 GRIA1 (0.71) GRIA1GRIA4NPY5RCA1CA2
SCHEMBL14654996 0.72 GRIA1 (0.78) GRIA1TP53CA1CA2

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-2021263039-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2021-12-30 WO disclosed