SCHEMBL19304523

SCHEMBL19304523

CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(O)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.61
MMP8 P22894 1/20 0.54
ELANE P08246 1/20 0.49
TP53 P04637 2/20 0.48
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
TACR1 P25103 1/20 0.47
POLB P06746 2/20 0.46
CTSL P07711 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5288742 0.90 HPRT1 (0.61) HPRT1MMP8ELANETP53EPHX2
SCHEMBL9167757 0.88 HPRT1 (0.65) HPRT1MMP8ELANETP53EPHX2
SCHEMBL12746417 0.88 HPRT1 (0.61) HPRT1MMP8ELANETP53EPHX2
SCHEMBL9170861 0.87 HPRT1 (0.60) HPRT1MMP8ELANETP53EPHX2
SCHEMBL9169415 0.86 HPRT1 (0.59) HPRT1MMP8ELANETP53EPHX2
SCHEMBL9172797 0.86 HPRT1 (0.59) HPRT1MMP8ELANETP53EPHX2
SCHEMBL20181275 0.85 ITGA4 (0.50) HPRT1GAARAB9ATACR1POLB
SCHEMBL20181454 0.84 HPRT1 (0.48) HPRT1GAARAB9APOLBCTSL
SCHEMBL4765072 0.81 MMP8 (0.59) HPRT1MMP8ELANETP53EPHX2
SCHEMBL8966036 0.81 MMP8 (0.59) HPRT1MMP8ELANETP53EPHX2

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-3214090-B1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORP (JP) 2020-08-19 EP disclosed
EP-3214090-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION Fujifilm Corporation (JP) 2017-09-06 EP disclosed