SCHEMBL4736653

SCHEMBL4736653

Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NNc2ccccc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.55
POLB P06746 1/20 0.46
P2RX7 Q99572 1/20 0.46
EPHX2 P34913 2/20 0.46
GAA P10253 1/20 0.42
CYP19A1 P11511 1/20 0.42
CNR2 P34972 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 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
SCHEMBL4740132 0.88 HSD11B1 (0.55) HSD11B1EPHX2TP53
SCHEMBL4912062 0.85 HSD11B1 (0.54) HSD11B1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4736614 0.85 HSD11B1 (0.66) HSD11B1POLBEPHX2ALDH1A1
SCHEMBL4782830 0.85 HSD11B1 (0.62) HSD11B1GAAALDH1A1
SCHEMBL4786375 0.85 HSD11B1 (0.62) HSD11B1GAAALDH1A1
SCHEMBL4736702 0.84 HSD11B1 (0.58) HSD11B1GAAHDAC3HDAC4HDAC1
SCHEMBL4740123 0.83 CCR1 (0.47) POLBEPHX2HDAC3HDAC4HDAC1
SCHEMBL4739901 0.83 HSD11B1 (0.61) HSD11B1GAAALDH1A1TP53
SCHEMBL4740379 0.82 HSD11B1 (0.56) HSD11B1GAAALDH1A1
SCHEMBL4739751 0.82 HSD11B1 (0.54) HSD11B1GAAHDAC3HDAC4HDAC1

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