SCHEMBL7214930

SCHEMBL7214930

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2ccc(C=O)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.35
F10 P00742 1/20 0.35
POLB P06746 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SSTR4 P31391 1/20 0.31
SYK P43405 1/20 0.31
ALDH1A1 P00352 4/20 0.31
AAK1 Q2M2I8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
NQO2 P16083 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL20705133 0.90 NR1H4 (0.36) PDPK1POLBSSTR4SYKALDH1A1
SCHEMBL7219745 0.86 NR1H4 (0.41) F10POLBHDAC3HDAC1HDAC6
SCHEMBL7219743 0.86 NR1H4 (0.41) F10POLBHDAC3HDAC1HDAC6
SCHEMBL3743397 0.84 PDPK1 (0.37) PDPK1POLBHDAC3HDAC1HDAC6
SCHEMBL7220504 0.82 PLG (0.43) PDPK1HDAC3HDAC1HDAC6SSTR4
SCHEMBL3738636 0.80 SSTR4 (0.37) PDPK1HDAC3HDAC1HDAC6SSTR4
SCHEMBL3733168 0.80 ROCK1 (0.38) PDPK1HDAC3HDAC1HDAC6SSTR4
SCHEMBL20713655 0.79 NR1H4 (0.35) POLBSSTR4ALDH1A1
SCHEMBL13302732 0.77 SYK (0.40) PDPK1POLBSSTR4SYKALDH1A1
SCHEMBL18300427 0.76 SYK (0.36) PDPK1SSTR4SYKAAK1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534535-B1 Administering indole derivative as anticoagulant MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2001012600-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-02-22 WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed