SCHEMBL5089580

SCHEMBL5089580

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(OCCCOCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
CTSS P25774 2/20 0.43
ATM Q13315 1/20 0.43
CTSK P43235 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.42
PPARG P37231 1/20 0.42
PTPN1 P18031 2/20 0.41
BCL2 P10415 1/20 0.40
S1PR3 Q99500 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
F7 P08709 1/20 0.40

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
SCHEMBL191550 0.84 ATM (0.55) PPARACTSSATMCTSKPTPN1
SCHEMBL191549 0.84 ATM (0.55) PPARACTSSATMCTSKPTPN1
SCHEMBL23200772 0.79 PPARA (0.52) PPARACTSSATMCTSKITGB3
SCHEMBL3811492 0.78 ITGB3 (0.51) CTSSATMCTSKITGB3ITGA2B
SCHEMBL3814568 0.78 ITGB3 (0.51) CTSSATMCTSKITGB3ITGA2B
SCHEMBL192406 0.77 CTSS (0.54) PPARACTSSATMCTSKPTPN1
SCHEMBL192405 0.77 CTSS (0.54) PPARACTSSATMCTSKPTPN1
SCHEMBL2574965 0.77 CTSS (0.54) PPARACTSSATMCTSKPTPN1
SCHEMBL2574963 0.77 CTSS (0.54) PPARACTSSATMCTSKPTPN1
SCHEMBL20439333 0.77 CTSS (0.54) PPARACTSSATMCTSKPTPN1

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
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed