SCHEMBL4602214

SCHEMBL4602214

CCCCOC(=O)NC(CCC(=O)OC)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ACHE P22303 6/20 0.37
CASP1 P29466 1/20 0.36
KDM5A P29375 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4631032 0.87 EPHX1 (0.42) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4603603 0.87 CHRNB2 (0.38) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5496557 0.81 EPHX1 (0.41) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6168367 0.79 KMT2A (0.43) EPHX1ACHEL3MBTL1
SCHEMBL5198190 0.79 ZDHHC7 (0.41) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4778612 0.79 EPHX1 (0.40) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17175560 0.78 ITGB3 (0.47) EPHX1
SCHEMBL17175563 0.78 EPHX1 (0.39) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4632009 0.78 CHRNB2 (0.43) NPC1RAB9ASMN1; SMN2CHRNB2CHRNA4
SCHEMBL2222653 0.78 EPHX1 (0.45) EPHX1NPC1RAB9ASMN1; SMN2HPGD

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
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO 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