SCHEMBL8713627

SCHEMBL8713627

CNc1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.55
PSEN2 P49810 2/20 0.55
APH1B Q8WW43 2/20 0.55
NCSTN Q92542 2/20 0.55
APH1A Q96BI3 2/20 0.55
PSENEN Q9NZ42 2/20 0.55
PTPN1 P18031 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN7 P35236 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
SCHEMBL198467 0.83 PTPN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14652405 0.83 MAPT (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25121946 0.82 SMN1; SMN2 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5515918 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6654340 0.81 LMNA (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4598237 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17652044 0.81 SMN1; SMN2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16949649 0.81 KMT2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6608349 0.80 ALDH1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL656934 0.80 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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