SCHEMBL4739746

SCHEMBL4739746

O=C(CC1CCCN(S(=O)(=O)c2ccccc2Cl)C1)NN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CCR1 P32246 2/20 0.48
HSD11B1 P28845 1/20 0.48
FAAH O00519 5/20 0.47
POLB P06746 2/20 0.46
ATAD2 Q6PL18 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4738916 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4738255 0.92 TSHR (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4736686 0.92 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4736700 0.92 TSHR (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737374 0.91 L3MBTL1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4736785 0.90 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4740148 0.90 TSHR (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4782830 0.90 HSD11B1 (0.62) HSD11B1ATAD2TSHRLMNA
SCHEMBL4786375 0.90 HSD11B1 (0.62) HSD11B1ATAD2TSHRLMNA
SCHEMBL4737502 0.87 POLB (0.49) POLBATAD2L3MBTL1TSHRLMNA

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