SCHEMBL4737578

SCHEMBL4737578

Cc1ccccc1S(=O)(=O)N1CCCC(CC(=O)NN2CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
CYP19A1 P11511 1/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 3/20 0.43
ATAD2 Q6PL18 1/20 0.43
HSD11B1 P28845 1/20 0.43
GAA P10253 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
P2RX7 Q99572 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4740138 0.91 L3MBTL1 (0.46) EPHX2CYP19A1LMNATDP1CNR2
SCHEMBL4736673 0.87 ALDH1A1 (0.50) EPHX2CYP19A1LMNACNR2ALDH1A1
SCHEMBL4738916 0.87 HDAC3 (0.52) LMNAATAD2HSD11B1CYP2C19SMN1; SMN2
SCHEMBL4739746 0.87 HDAC3 (0.52) LMNAATAD2HSD11B1CYP2C19SMN1; SMN2
SCHEMBL4740922 0.87 CYP19A1 (0.43) CYP19A1LMNAHSD11B1GAAALDH1A1
SCHEMBL4736709 0.86 LMNA (0.57) LMNAALDH1A1HTTCYP2C19SMN1; SMN2
SCHEMBL4737593 0.86 LMNA (0.57) LMNAALDH1A1HTTCYP2C19SMN1; SMN2
SCHEMBL4786375 0.85 HSD11B1 (0.62) LMNAATAD2HSD11B1GAAALDH1A1
SCHEMBL4740145 0.85 MAPT (0.49) CYP19A1TDP1CNR2GAAMITF
SCHEMBL4782830 0.85 HSD11B1 (0.62) LMNAATAD2HSD11B1GAAALDH1A1

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