SCHEMBL6870256

SCHEMBL6870256

CCOC(=O)c1oc2cccc(OCCCNC(C)(C)CC(=O)OC(C)(C)C)c2c1C

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 12/20 0.79
NMT1 P30419 12/20 0.79
ADRB2 P07550 5/20 0.79
ADRB1 P08588 4/20 0.79
ADRB3 P13945 4/20 0.79
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 1/20 0.47

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
SCHEMBL6867135 0.89 NMT2 (0.62) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868627 0.89 NMT2 (0.62) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.88 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3471593 0.85 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6874240 0.85 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3477347 0.84 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3614408 0.84 NMT2 (0.74) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870450 0.81 NMT2 (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869552 0.78 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870259 0.77 NMT2 (0.63) NMT2NMT1ADRB2ADRB1ADRB3

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