SCHEMBL16378629

SCHEMBL16378629

COC(=O)c1ccc(-c2coc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.64
ENPP1 P22413 1/20 0.64
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
HDAC6 Q9UBN7 3/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 1/20 0.51
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CHEK1 O14757 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
SCHEMBL7220934 1.00 ENPP3 (0.64) ENPP3ENPP1CA1CA2HDAC6
SCHEMBL16378628 0.88 ENPP3 (0.70) ENPP3ENPP1CA1CA2HDAC6
SCHEMBL7221412 0.88 ENPP3 (0.62) ENPP3ENPP1HDAC6HDAC1HDAC8
SCHEMBL7215190 0.88 ENPP3 (0.70) ENPP3ENPP1CA1CA2HDAC6
SCHEMBL16199782 0.88 CA1 (0.56) ENPP3ENPP1CA1CA2HDAC6
SCHEMBL12243296 0.87 NPC1 (0.50) ENPP3ENPP1HDAC6HDAC1HDAC8
SCHEMBL1000268 0.86 RAB9A (0.51) ENPP3ENPP1HDAC6HDAC1HDAC8
SCHEMBL7221944 0.86 ALDH1A1 (0.54) ENPP3ENPP1HDAC6HDAC1HDAC8
SCHEMBL7217142 0.86 ENPP3 (0.48) ENPP3ENPP1CA1CA2HDAC6
SCHEMBL8399604 0.85 ENPP3 (0.84) ENPP3ENPP1HDAC6HDAC1HDAC8

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
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed