SCHEMBL4739751

SCHEMBL4739751

Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(CC(=O)NN2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.54
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
USP5 P45974 3/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4782830 0.89 HSD11B1 (0.62) HSD11B1LMNATSHRMAPK1ALDH1A1
SCHEMBL4786375 0.89 HSD11B1 (0.62) HSD11B1LMNATSHRMAPK1ALDH1A1
SCHEMBL4740379 0.86 HSD11B1 (0.56) HSD11B1LMNATSHRMAPK1ALDH1A1
SCHEMBL4736702 0.86 HSD11B1 (0.58) HSD11B1LMNATSHRMAPK1ALDH1A1
SCHEMBL4738968 0.85 HSD11B1 (0.58) HSD11B1TSHRALDH1A1CYP2C19AKR1C3
SCHEMBL4740136 0.85 USP5 (0.53) MMP2MMP13USP5LMNATSHR
SCHEMBL4739901 0.84 HSD11B1 (0.61) HSD11B1LMNATSHRMAPK1ALDH1A1
SCHEMBL4736686 0.83 HDAC3 (0.50) HSD11B1TSHRNPSR1HDAC3HDAC4
SCHEMBL4912062 0.82 HSD11B1 (0.54) HSD11B1LMNAALDH1A1NPSR1HDAC3
SCHEMBL4736614 0.82 HSD11B1 (0.66) HSD11B1LMNATSHRALDH1A1

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