SCHEMBL6863655

SCHEMBL6863655

CCC(=O)c1c(OC)ccc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.54
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HMGCR P04035 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4D Q08499 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10456723 0.86 CA9 (0.49) CA9HMGCRMEN1KMT2ALMNA
SCHEMBL9752929 0.82 HMGCR (0.50) CA9HMGCRMEN1KMT2AKDM4E
SCHEMBL28103037 0.81 PDE4D (0.42) CA9MAPTTDP1MEN1KMT2A
SCHEMBL5996268 0.80 TDP1 (0.41) CA9MAPTTDP1CA12CA1
SCHEMBL8239580 0.80 CA9 (0.61) CA9HMGCRCA12CA1CA2
SCHEMBL9559877 0.79 CA9 (0.53) CA9MAPTTDP1HMGCRMEN1
SCHEMBL6717832 0.79 PDE4D (0.56) MAPTTDP1HMGCRMEN1KMT2A
SCHEMBL27940013 0.78 CA9 (0.43) CA9HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL4849364 0.78 CA12 (0.63) CA9MAPTTDP1MEN1KMT2A
SCHEMBL10497869 0.78 CA9 (0.51) CA9MAPTTDP1MEN1KMT2A

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 2 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