SCHEMBL8764768

SCHEMBL8764768

CCOC(=O)C(CC(C)C)C(OCC)[PH](=O)CSc1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRNP P04156 10/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 5/20 0.45
RXFP1 Q9HBX9 6/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 4/20 0.39
MAPK10 P53779 2/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
PTBP1 P26599 1/20 0.37
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7053042 0.89 PRNP (0.52) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7449784 0.77 PRNP (0.54) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049715 0.74 PRNP (0.46) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8764856 0.72 PRNP (0.53) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049726 0.72 PRNP (0.50) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7050341 0.71 CYP3A4 (0.39) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL8764852 0.71 PRNP (0.57) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL9067056 0.70 PRNP (0.53) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7049709 0.69 PRNP (0.52) PRNPKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8764771 0.69 PRNP (0.49) PRNPKMT2AMEN1ALDH1A1L3MBTL1

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-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed