SCHEMBL8712451

SCHEMBL8712451

CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3ccc(C#N)cc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.45
CHRNA7 P36544 2/20 0.44
CLK1 P49759 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC1 Q13547 3/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPT P10636 1/20 0.39
PLAU P00749 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8718107 0.92 CLK1 (0.47) CLK1MAPK9MAPK14HDAC1PSEN1
SCHEMBL8718412 0.83 PLAU (0.44) MAPK9MAPK14HDAC1PSEN1PSEN2
SCHEMBL8715803 0.79 NPC1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8713812 0.78 MAPT (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714165 0.77 F2 (0.52) MAPK9MAPK14HDAC1PSEN1PSEN2
SCHEMBL8715681 0.77 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8715687 0.77 CETP (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8904290 0.76 CHRNA7 (0.50) DHPSCHRNA7KMT2AHTR3ACETP
SCHEMBL8714853 0.76 CHRNA7 (0.50) DHPSCHRNA7KMT2AHTR3ACETP
SCHEMBL8712595 0.76 MAPT (0.47) MAPTKMT2ACETPRXFP1

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