SCHEMBL9067417

SCHEMBL9067417

CCOC(=O)CC(C[PH](=O)CSc1ccc2ccccc2n1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
PRNP P04156 5/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 5/20 0.38
NPSR1 Q6W5P4 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
MAPK10 P53779 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 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
SCHEMBL9067421 0.81 PRNP (0.48) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL9067054 0.80 PRNP (0.57) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL9067056 0.73 PRNP (0.53) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL7049866 0.73 PRNP (0.45) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL8764852 0.72 PRNP (0.57) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL9067253 0.72 CYP2D6 (0.39) KMT2AL3MBTL1ALDH1A1NPSR1THRB
SCHEMBL7047081 0.67 RXFP1 (0.44) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL8764771 0.67 PRNP (0.49) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL9067414 0.66 PRNP (0.48) KMT2APRNPMEN1L3MBTL1ALDH1A1
SCHEMBL8764856 0.66 PRNP (0.53) KMT2APRNPMEN1L3MBTL1ALDH1A1

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-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed