SCHEMBL4736733

SCHEMBL4736733

CCCC(=O)NNOC(=O)CC1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.51
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4739901 0.80 HSD11B1 (0.61) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL4786375 0.79 HSD11B1 (0.62) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL4782830 0.79 HSD11B1 (0.62) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL4736702 0.78 HSD11B1 (0.58) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL4736614 0.78 HSD11B1 (0.66) HSD11B1ALDH1A1LMNATSHRMEN1
SCHEMBL4736653 0.78 HSD11B1 (0.55) HSD11B1ALDH1A1GAAHDAC3HDAC4
SCHEMBL4740132 0.77 HSD11B1 (0.55) HSD11B1LMNAMEN1KMT2ATP53
SCHEMBL4736817 0.77 HTT (0.46) HSD11B1ALDH1A1LMNATSHRKMT2A
SCHEMBL4740379 0.77 HSD11B1 (0.56) HSD11B1ALDH1A1LMNATSHRMAPK1
SCHEMBL4912062 0.77 HSD11B1 (0.54) HSD11B1ALDH1A1LMNANPSR1MEN1

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-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed