SCHEMBL8718263

SCHEMBL8718263

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 4/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL8715681 0.87 MAPT (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8718442 0.83 TPSAB1 (0.54) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8718100 0.83 TPSAB1 (0.66) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL13741916 0.82 MAPT (0.42) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8903999 0.81 MAPT (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8718269 0.80 KMT2A (0.44) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL8713054 0.79 RAB9A (0.47) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8713075 0.78 NPC1 (0.52) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL8905644 0.76 RAB9A (0.47) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL7449870 0.76 CA12 (0.50) MAPTKMT2AMEN1HSD17B10KDM4E

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