SCHEMBL6870685

SCHEMBL6870685

[CH2]Oc1ccc2oc(CO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
IDO1 P14902 3/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
FLT3 P36888 1/20 0.36
GAPDH P04406 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
HPGD P15428 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PIM1 P11309 1/20 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
SCHEMBL119001 0.83 CYP2A6 (0.51) CA12CA1CA9KDM4EALDH1A1
SCHEMBL6871522 0.83 LOXL2 (0.53) F2F10FLT3CA12CA1
SCHEMBL6871886 0.78 AGXT (0.37) HDAC6FLT3CA2TAS1R3TAS1R1
SCHEMBL28853014 0.77 HDAC6 (0.42) HDAC6IDO1F2F10CA12
SCHEMBL3615361 0.75 ALOX5 (0.55) HDAC6CA12CA1CA9CA2
SCHEMBL6871502 0.74 HDAC6 (0.37) HDAC6ALDH1A1PIM1HDAC3HDAC1
SCHEMBL17577773 0.74 FLT3 (0.52) HDAC6IDO1FLT3CA12CA1
SCHEMBL120404 0.73 IDO1 (0.53) HDAC6IDO1F2F10CA12
SCHEMBL4689215 0.73 FLT3 (0.55) HDAC6IDO1F2F10FLT3
SCHEMBL4521699 0.73 HDAC6 (0.42) HDAC6IDO1F2F10CA12

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