SCHEMBL6140108

SCHEMBL6140108

CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
DPP4 P27487 1/20 0.44
HSD11B1 P28845 5/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL5567730 0.88 GAA (0.78) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5081739 0.83 GAA (0.62) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5569071 0.82 GAA (0.69) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL17428468 0.82 HSD11B1 (0.51) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5080904 0.77 GAA (0.55) GAAALDH1A1MEN1KMT2A
SCHEMBL5081738 0.77 GAA (0.55) GAAALDH1A1MEN1KMT2A
SCHEMBL17702628 0.76 GAA (0.42) GAAALDH1A1LMNADPP4HSD11B1
SCHEMBL2849063 0.76 MEN1 (0.50) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL3325046 0.75 HSD11B1 (0.73) MEN1KMT2AHSD11B1CYP3A4
SCHEMBL5081795 0.75 GAA (0.52) GAAALDH1A1LMNA

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-1505053-A1 Adamantanetricarboxylic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2005-02-09 EP disclosed