SCHEMBL8961420

SCHEMBL8961420

Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PLG P00747 2/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
BCHE P06276 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
OPRD1 P41143 1/20 0.31
CASP3 P42574 1/20 0.30
TLR2 O60603 1/20 0.30
TLR1 Q15399 1/20 0.30

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
SCHEMBL2366956 0.86 MDM2 (0.42) PLGF10PLAUKLKB1CASP3
SCHEMBL29469785 0.86 MDM2 (0.42) PLGF10PLAUKLKB1CASP3
SCHEMBL2367323 0.86 MDM2 (0.42) PLGF10PLAUKLKB1CASP3
SCHEMBL4094903 0.85 PLG (0.37) KMT2APLGF10PLAUKLKB1
SCHEMBL14374808 0.85 PLG (0.36) KMT2APLGF10PLAUKLKB1
SCHEMBL4430880 0.85 CASP3 (0.39) KMT2APLGF10PLAUKLKB1
SCHEMBL2367324 0.83 PLG (0.37) KMT2APLGF10PLAUKLKB1
SCHEMBL2366962 0.83 PLG (0.37) KMT2APLGF10PLAUKLKB1
SCHEMBL12214883 0.81 PLG (0.34) KMT2APLGF10PLAUKLKB1
SCHEMBL8260151 0.81 PLG (0.34) KMT2APLGF10PLAUKLKB1

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-0693081-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION Novartis AG (CH) 1996-01-24 EP disclosed
WO-1994024153-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed