SCHEMBL9067415

SCHEMBL9067415

CCOC(=O)CCC(C[PH](=O)COS(C)(=O)=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
F10 P00742 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MMP8 P22894 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.33
PPID Q08752 1/20 0.33

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
SCHEMBL9067915 0.86 LMNA (0.39) F2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL9067048 0.83 F2 (0.45) F2CYP3A4CYP2D6CYP2C19PTPN1
SCHEMBL9068100 0.76 CYP3A4 (0.46) F2CYP3A4CYP2D6CYP2C19PTPN1
SCHEMBL28008650 0.76 F2 (0.48) F2CYP3A4CYP2D6CYP2C19PTPN1
SCHEMBL9067420 0.74 SMN1; SMN2 (0.42) F2SMN1; SMN2F10MMP8ALDH1A1
SCHEMBL7017101 0.73 F2 (0.46) F2CYP3A4CYP2D6CYP2C19PTPN1
SCHEMBL9067050 0.72 CYP3A4 (0.42) F2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8532811 0.72 L3MBTL1 (0.35) GAA
SCHEMBL28633131 0.71 SMN1; SMN2 (0.51) CYP3A4CYP2D6CYP2C19PTPN1SMN1; SMN2
SCHEMBL29756122 0.70 CYP3A4 (0.48) F2CYP3A4CYP2D6CYP2C19PTPN1

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