SCHEMBL13355256

SCHEMBL13355256

Cc1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
MEN1 O00255 1/20 0.74
HTT P42858 1/20 0.74
KMT2A Q03164 1/20 0.74
LMNA P02545 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
AVPR1A P37288 10/20 0.70
AVPR2 P30518 8/20 0.70
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HSD11B1 P28845 1/20 0.62

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
SCHEMBL3455465 0.89 ALDH1A1 (0.74) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL2895100 0.88 ALDH1A1 (0.73) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL2895098 0.88 ALDH1A1 (0.73) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL3456179 0.88 ALDH1A1 (0.73) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL3455687 0.87 LMNA (0.74) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL2895086 0.85 ALDH1A1 (0.70) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL3455328 0.85 ALDH1A1 (0.70) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL13355138 0.85 ALDH1A1 (1.00) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL3818092 0.85 ALDH1A1 (0.70) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL3455628 0.85 ALDH1A1 (0.69) ALDH1A1MEN1HTTKMT2ALMNA

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-1787982-B1 11Beta-Hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-12 EP disclosed