SCHEMBL8657200

SCHEMBL8657200

CCOC(=O)CCNNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
HDAC3 O15379 12/20 0.54
HDAC1 Q13547 8/20 0.54
HDAC2 Q92769 8/20 0.54
NCOR2 Q9Y618 4/20 0.54
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
TOP2A P11388 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL645952 0.85 HDAC3 (0.53) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL27439930 0.84 PRSS1 (0.71) L3MBTL1PRSS1CTSGCTRB1CMA1
SCHEMBL27158903 0.80 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL7769202 0.79 NPC1 (0.50) L3MBTL1TOP2ACA12CA1CA2
SCHEMBL5009820 0.79 MAPT (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8423787 0.79 HDAC3 (0.79) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL8658753 0.79 CA12 (0.57) HDAC3HDAC1HDAC2NCOR2HDAC8
Hydrochloric Acid SCHEMBL7773271 0.78 NPC1 (0.49) L3MBTL1TOP2ACA12CA1CA2
SCHEMBL2326874 0.78 PRSS1 (0.60) L3MBTL1PRSS1CTSGCTRB1CMA1
SCHEMBL7898635 0.77 L3MBTL1 (0.48) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed