SCHEMBL25896258

SCHEMBL25896258

CCCN(C)C(=O)NC(C)(C)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL20029362 0.82
SCHEMBL22353370 0.81 PRMT3 (0.37)
SCHEMBL20614476 0.74 KDM4C (0.31) KDM4C
SCHEMBL729759 0.72
SCHEMBL968065 0.71 CA12 (0.32) HDAC3HDAC1HDAC2CA12CA2
SCHEMBL969640 0.70 ALDH1A1 (0.39) HDAC3HDAC1HDAC2KDM4CCA12
Ammonia Solution, Strong SCHEMBL27978398 0.70 CA12 (0.40) HDAC3HDAC1HDAC2KDM4CCA12
Fluoride SCHEMBL28555435 0.70 CA12 (0.36) HDAC3HDAC1HDAC2KDM4CCA12
SCHEMBL9972415 0.69 KDM4C (0.44) KDM4C
SCHEMBL21250586 0.68 ALDH1A1 (0.36) CA12CA2CA9

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
EP-4218795-A2 PTH COMPOUNDS WITH LOW PEAK-TO-TROUGH RATIOS Ascendis Pharma Bone Diseases A/S (DK) 2023-08-02 EP disclosed