SCHEMBL328820

SCHEMBL328820

CCOC(=O)C1[C@H]2CCC(N)CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.50
PTPN1 P18031 2/20 0.50
PPP1CC P36873 2/20 0.50
SMYD3 Q9H7B4 1/20 0.46
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LGMN Q99538 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
SCHEMBL15712143 0.90 PPM1B (0.53) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL30242901 0.83 PPM1B (0.45) PPM1BPTPN1PPP1CCSMYD3HSD11B1
SCHEMBL26015242 0.83 PPM1B (0.45) PPM1BPTPN1PPP1CCSMYD3HSD11B1
SCHEMBL24198225 0.83 PPM1B (0.45) PPM1BPTPN1PPP1CCSMYD3HSD11B1
SCHEMBL34472262 0.82 PPM1B (0.47) PPM1BPTPN1PPP1CCSMYD3MAPT
SCHEMBL31184507 0.82 PPM1B (0.47) PPM1BPTPN1PPP1CCSMYD3MAPT
SCHEMBL360031 0.82 PPM1B (0.47) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL5791356 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL3985705 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCHSD11B1MAPT
SCHEMBL25467328 0.82 PPM1B (0.50) PPM1BPTPN1PPP1CCHSD11B1MAPT

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-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 EP disclosed