SCHEMBL6868285

SCHEMBL6868285

CCOC(=O)Oc1oc2cccc(OCCCCCNC(C)(C)C)c2c1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 11/20 0.72
NMT1 P30419 11/20 0.72
ADRB2 P07550 5/20 0.66
ADRB1 P08588 4/20 0.66
ADRB3 P13945 4/20 0.66
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6868394 0.99 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870237 0.93 NMT2 (0.70) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870477 0.84 NMT2 (0.61) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871630 0.84 NMT2 (0.61) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3477347 0.84 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870862 0.83 NMT2 (0.62) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3471593 0.82 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.79 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6863415 0.79 NMT2 (0.72) NMT2NMT1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6869324 0.79 NMT2 (0.49) 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 1 patent. 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 claimed