SCHEMBL7762084

SCHEMBL7762084

CS(=O)(=O)OCCNCCCCCC(NC(=O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SIRT2 Q8IXJ6 8/20 0.38
SIRT1 Q96EB6 5/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SIRT3 Q9NTG7 4/20 0.37
FOLH1 Q04609 1/20 0.37
TGM2 P21980 2/20 0.37

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
SCHEMBL413800 0.73 CCR6 (0.52) SMN1; SMN2FOLH1
SCHEMBL413898 0.72 CCR6 (0.51) SMN1; SMN2SIRT2SIRT1MEN1ALDH1A1
SCHEMBL14999593 0.72 ATM (0.46) CA1CA2MEN1KMT2A
SCHEMBL416891 0.72 CCR6 (0.48) SMN1; SMN2SIRT2SIRT1MEN1ALDH1A1
SCHEMBL10954785 0.71 TGM2 (0.60) SMN1; SMN2CA1CA2MMP2MMP9
SCHEMBL6558520 0.71 CA1 (0.51) SMN1; SMN2CA1CA2ALDH1A1
SCHEMBL2453446 0.70 HTT (0.60) SMN1; SMN2CA1CA2MMP2MMP9
SCHEMBL23000174 0.69 CA2 (0.50) CA1CA2MEN1KMT2A
SCHEMBL20553378 0.69 CA2 (0.50) CA1CA2MEN1KMT2A
SCHEMBL3445880 0.68 HTT (0.62) SMN1; SMN2CA1CA2MMP2MMP9

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-1100806-A1 ERYTHROMYCIN DERIVATIVE WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006586-A1 ERYTHROMYCIN DERIVATIVE WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed