SCHEMBL4162834

SCHEMBL4162834

COc1ccc(CO[C@@H]2CCC(CO)N(S(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.43
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42
ADAM17 P78536 1/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL3933140 1.00 FKBP1A (0.46) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3940677 0.88 FKBP1A (0.45) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL4051563 0.87 RAB9A (0.43) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3933656 0.87 RAB9A (0.45) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3932999 0.84 LMNA (0.45) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3930174 0.84 FKBP1A (0.42) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3935849 0.80 FKBP1A (0.44) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3935843 0.80 FKBP1A (0.44) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3933301 0.77 MMP1 (0.38) FKBP1ALMNAALDH1A1USP2GAA
SCHEMBL3933307 0.77 MMP1 (0.38) FKBP1ALMNAALDH1A1USP2GAA

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-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed