SCHEMBL8128772

SCHEMBL8128772

CCCCCCCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
EPHX1 P07099 8/20 0.46
NAAA Q02083 2/20 0.46
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
MMP8 P22894 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CASP2 P42575 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 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
SCHEMBL11243056 1.00 METAP2 (0.46) METAP2EPHX1NAAARRM1DPP7
SCHEMBL21457850 1.00 METAP2 (0.46) METAP2EPHX1NAAARRM1DPP7
SCHEMBL8328041 1.00 METAP2 (0.46) METAP2EPHX1NAAARRM1DPP7
SCHEMBL11251763 0.94 DPP7 (0.40) METAP2EPHX1NAAARRM1DPP7
SCHEMBL9150255 0.88 EPHX1 (0.57) METAP2EPHX1NAAARRM1DPP7
SCHEMBL22618594 0.88 EPHX1 (0.57) METAP2EPHX1NAAARRM1DPP7
SCHEMBL9154760 0.88 EPHX1 (0.57) METAP2EPHX1NAAARRM1DPP7
SCHEMBL12354358 0.87 DPP7 (0.56) METAP2EPHX1NAAARRM1DPP7
SCHEMBL20875992 0.82 FNTA (0.54) METAP2EPHX1NAAARRM1DPP7
SCHEMBL20875820 0.82 FNTA (0.54) METAP2EPHX1NAAARRM1DPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816375-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO SL (ES) 1998-01-07 EP claimed
EP-0984974-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO S.L. (ES) 2000-03-15 EP disclosed
WO-1998054196-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO SL (ES) 1998-12-03 WO disclosed
EP-0816375-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO SL (ES) 1998-01-07 EP disclosed