SCHEMBL5506728

SCHEMBL5506728

COc1ccc(C2CC(CO)N(S(=O)(=O)c3ccc(C)cc3)CC2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.48
MMP3 P08254 9/20 0.46
MMP9 P14780 8/20 0.46
MMP1 P03956 8/20 0.46
ADAM17 P78536 6/20 0.46
HSD11B1 P28845 1/20 0.44
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
MMP7 P09237 2/20 0.43
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
FKBP1A P62942 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
SCHEMBL1039792 1.00 LMNA (0.51) LMNAMAPTUSP2ALDH1A1GAA
SCHEMBL1040056 0.88 MMP1 (0.41) LMNAMAPTUSP2ALDH1A1GAA
SCHEMBL1038075 0.88 ESR1 (0.41) LMNAMAPTUSP2ALDH1A1GAA
SCHEMBL1038263 0.87 LMNA (0.40) LMNAMAPTUSP2ALDH1A1GAA
SCHEMBL13435377 0.87 NPSR1 (0.51) LMNAMAPTALDH1A1GAATSHR
SCHEMBL1035128 0.87 TSHR (0.48) LMNAUSP2ALDH1A1GAATSHR
SCHEMBL2919379 0.85 LMNA (0.45) LMNAMAPTUSP2ALDH1A1GAA
SCHEMBL8211350 0.81 MMP3 (0.57) ALDH1A1MMP3MMP9MMP1ADAM17
SCHEMBL9380136 0.76 MCOLN3 (0.50) LMNAALDH1A1GAANPSR1KMT2A
SCHEMBL9211270 0.76 MCOLN3 (0.50) LMNAALDH1A1GAANPSR1KMT2A

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
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed