SCHEMBL8713142

SCHEMBL8713142

CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3cc(C#N)cnc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
ESR1 P03372 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
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
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.38
CETP P11597 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 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
SCHEMBL8715681 0.85 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1PSEN1
SCHEMBL8712543 0.84 MAPT (0.45) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8712984 0.84 MAPT (0.44) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8904711 0.81 MAPT (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8713959 0.77 IRAK4 (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL8906191 0.77 IRAK4 (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL8715687 0.76 CETP (0.41) MAPTHPGDPSEN1PSEN2APH1B
SCHEMBL8718107 0.74 CLK1 (0.47) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL8719757 0.74 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8712602 0.73 HDAC8 (0.40) MAPTHPGDPSEN1PSEN2APH1B

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