SCHEMBL20123381

SCHEMBL20123381

NCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ELANE P08246 1/20 0.47
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.45
CETP P11597 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SRC P12931 1/20 0.41
EPHX2 P34913 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL206609 0.91 TSHR (0.68) TSHRELANEIDO1AGXTCETP
SCHEMBL18822906 0.86 TSHR (0.53) TSHRELANEIDO1AGXTCETP
SCHEMBL5379773 0.85 TSHR (0.61) TSHRELANEIDO1AGXTCETP
SCHEMBL9939654 0.83 TSHR (0.50) TSHRELANECETP
SCHEMBL27524435 0.83 TSHR (0.59) TSHRELANEIDO1AGXTCETP
SCHEMBL79996 0.83 TSHR (0.63) TSHRELANEIDO1AGXTCETP
SCHEMBL12239114 0.82 TSHR (0.62) TSHRELANECETPNPC1RAB9A
SCHEMBL2301938 0.82 TSHR (0.57) TSHRELANEIDO1AGXTCETP
SCHEMBL2365443 0.82 TSHR (0.57) TSHRELANEIDO1CETPSRC
SCHEMBL218693 0.82 TSHR (0.57) TSHRELANEIDO1AGXTCETP

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
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed