SCHEMBL24976758

SCHEMBL24976758

CNC(C)(C)CCC(=O)NCCOCCNC(=O)COC(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 4/20 0.33
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL24976743 0.85 NPSR1 (0.32)
SCHEMBL24821971 0.84 SIGMAR1 (0.30)
SCHEMBL24977928 0.83 SMN1; SMN2 (0.34) TSHRMEN1KMT2A
SCHEMBL24976760 0.81 TSHR (0.34) CA12CA1CA2CA4CA9
SCHEMBL24976081 0.79
SCHEMBL23812454 0.77 KDM4E (0.38) CA12CA1CA2CA4CA9
SCHEMBL26664930 0.76 SPR (0.35) TSHRMEN1KMT2A
SCHEMBL24977469 0.74 ALDH1A1 (0.33) TSHRMEN1KMT2A
SCHEMBL26664935 0.73 TSHR (0.34) CA12CA1CA2CA4CA9
SCHEMBL24859242 0.72 MEN1 (0.41) CA12CA1CA2CA4CA9

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-20230035986-A1 NOVEL CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-02-02 US disclosed