SCHEMBL19059482

SCHEMBL19059482

CCC(=O)CC(C)(C)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LIPA P38571 1/20 0.32

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
SCHEMBL3518173 0.82 MEN1 (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL3516359 0.76 HMGCR (0.46) TDP1HSD11B1MEN1ALDH1A1LMNA
SCHEMBL15492445 0.76 ALDH1A1 (0.37) TDP1HSD11B1MEN1ALDH1A1LMNA
SCHEMBL20899828 0.73 HMGCR (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL2151643 0.72 GAA (0.43) TDP1HSD11B1ALDH1A1LMNAALOX12
SCHEMBL13194698 0.71 MEN1 (0.31) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL11117598 0.71 LIPA (0.42) HSD11B1MEN1ALDH1A1LMNAALOX12
SCHEMBL7112401 0.71 TSHR (0.39) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL10147065 0.70 LIPA (0.31) LIPA
SCHEMBL11029634 0.70 LMNA (0.42) TDP1HSD11B1ALDH1A1LMNAKMT2A

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-2693882-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-06-28 EP disclosed