SCHEMBL6873227

SCHEMBL6873227

CC(C)(C)OC(=O)N(CCCOc1cccc2oc(C(=O)O)c(CO)c12)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
EDNRA P25101 2/20 0.40
NMT2 O60551 9/20 0.39
NMT1 P30419 9/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6870455 0.90 NMT2 (0.41) MCL1BCL2BCL2L1BADEDNRA
SCHEMBL6867140 0.81 NMT2 (0.50) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6863808 0.81 NMT2 (0.50) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868630 0.81 NMT2 (0.50) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870259 0.80 NMT2 (0.63) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL7040033 0.70 EDNRA (0.54) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6868005 0.69 NMT2 (0.53) EDNRANMT2NMT1
SCHEMBL6870450 0.69 NMT2 (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470617 0.68 NMT2 (0.64) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3615130 0.66 NMT2 (0.57) EDNRANMT2NMT1ADRB2ADRB1

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
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed