SCHEMBL8718100

SCHEMBL8718100

CCOC(=O)COc1ccc(NC(=O)c2cc3cc(C(=N)N)ccc3o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.66
TPSD1 Q9BZJ3 5/20 0.66
TPSG1 Q9NRR2 5/20 0.66
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
CASP3 P42574 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
F2 P00734 6/20 0.52
PLAU P00749 5/20 0.51
PLAT P00750 4/20 0.51
PLG P00747 3/20 0.51
KLKB1 P03952 3/20 0.51
PRSS1 P07477 3/20 0.51

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
SCHEMBL8718442 0.90 TPSAB1 (0.54) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8718615 0.88 TPSAB1 (0.52) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8717795 0.87 F2 (0.57) TPSAB1TPSD1TPSG1NPC1RAB9A
SCHEMBL8713075 0.86 NPC1 (0.52) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8718457 0.84 PLG (0.55) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8718263 0.83 MAPT (0.50) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8904054 0.81 TPSAB1 (0.49) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8715620 0.80 PLAU (0.47) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8903999 0.80 MAPT (0.46) TPSAB1TPSD1TPSG1MAPTNPC1
SCHEMBL8718226 0.79 SMN1; SMN2 (0.52) MAPTNPC1RAB9ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed