SCHEMBL4775488

SCHEMBL4775488

CCCCOC(=O)NC(CCC(=O)OC)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 5/20 0.40
ACE P12821 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL5496557 0.76 EPHX1 (0.41) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4808486 0.75 EPHX2 (0.41) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL6168367 0.74 KMT2A (0.43) L3MBTL1KMT2AACHEITGB3ITGA2B
SCHEMBL4778612 0.74 EPHX1 (0.40) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5198190 0.74 ZDHHC7 (0.41) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17175560 0.73 ITGB3 (0.47) KMT2AITGB3ITGA2BEPHX1
SCHEMBL17175563 0.73 EPHX1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1ACHE
SCHEMBL6906184 0.73 MAPT (0.44) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL17175565 0.72 CTSK (0.55)
SCHEMBL4602214 0.72 EPHX1 (0.41) MAPTL3MBTL1MAPK1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 WO disclosed