SCHEMBL7405019

SCHEMBL7405019

CCOC(=O)CNC(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CAPN1 P07384 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL8032622 0.94 GAA (0.69) GAATDP1CA1CA2MAOA
SCHEMBL25827367 0.91 GAA (0.58) GAATDP1CA1CA2MAOA
SCHEMBL572949 0.88 TDP1 (0.56) GAATDP1CA1CA2MAOA
SCHEMBL25827510 0.87 GAA (0.54) GAATDP1CA1CA2MAOA
SCHEMBL9555151 0.86 GAA (0.53) GAATDP1CA1CA2MAOA
SCHEMBL22381487 0.84 MAOA (0.64) GAATDP1CA1CA2MAOA
SCHEMBL2459761 0.84 MAOA (0.60) GAATDP1CA1CA2MAOA
SCHEMBL25095054 0.83 TDP1 (0.58) GAATDP1CA1CA2MAOA
SCHEMBL6355605 0.83 GAA (0.54) GAATDP1CA1CA2MAOA
SCHEMBL3882948 0.83 CAPN1 (0.63) GAATDP1CA1CA2MAOA

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
EP-1061934-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-12-27 EP disclosed
US-6117842-A INHIBITION OF BINDING OF FIBRINOGEN AND OTHER PROTEINS TO BLOOD PLATELETS, AND INHIBITING AGGREGATION OF BLOOD PLATELETS; MERCK & CO., INC. (US) 2000-09-12 US disclosed
WO-1999045939-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-09-16 WO disclosed