SCHEMBL6466340

SCHEMBL6466340

NC(=O)CC(CC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
MAPT P10636 3/20 0.39
ALOX5 P09917 2/20 0.38
FAAH O00519 2/20 0.36
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
XDH P47989 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CACNA1F O60840 1/20 0.34
CCR5 P51681 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34

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
SCHEMBL6463655 1.00 LMNA (0.39) LMNAMAPTALOX5FAAHCES1
SCHEMBL6465748 0.89 LMNA (0.40) LMNAKMT2ASMN1; SMN2XDHNPC1
SCHEMBL6462292 0.83 DAGLA (0.39) LMNAMAPTFAAHCES1DAGLA
SCHEMBL6462679 0.81 FAAH (0.37) FAAHCES1TSHRMEN1KMT2A
SCHEMBL6464160 0.80 LMNA (0.39) LMNAMAPTALOX5FAAHCES1
SCHEMBL6467443 0.79 FAAH (0.36) LMNAMAPTFAAHCES1DAGLA
SCHEMBL6466282 0.76 LMNA (0.39) LMNAMAPTALOX5FAAHCES1
SCHEMBL6472489 0.76 FAAH (0.36) LMNAMAPTFAAHCES1DAGLA
SCHEMBL7044868 0.76 LMNA (0.37) LMNAMAPTALOX5TSHRMEN1
SCHEMBL6462568 0.74 METAP2 (0.37) LMNAMAPTALOX5FAAHCES1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed