SCHEMBL7922598

SCHEMBL7922598

N#CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.45
HSD11B1 P28845 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
GLA P06280 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7127592 0.78 HSD11B1 (0.43) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL1072567 0.73 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL10616048 0.73 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL27724281 0.72 HSD11B1 (0.46) ALDH1A1HSD11B1L3MBTL1HTTCRHBP
SCHEMBL7734591 0.71 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL1607368 0.71 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHTTCRHBP
SCHEMBL251840 0.71 HSD11B1 (0.50) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
Potassium SCHEMBL31135095 0.70 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTCRHBP
SCHEMBL133056 0.69 HSD11B1 (0.48) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL546352 0.69 HTT (0.48) ALDH1A1MAPTLMNAHSD11B1L3MBTL1

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
WO-2010032129-A1 METHOD FOR PRODUCING ADAMANTYL COMPOUNDS FINORGA (FR) 2010-03-25 WO disclosed