SCHEMBL6168616

SCHEMBL6168616

COc1ccc(Oc2ccc(-c3nc(O)co3)cc2)cc1.COc1ccc(Oc2ccc(-c3nc(OS(=O)(=O)C(F)(F)F)co3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
STS P08842 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5836387 0.93 ENPP3 (0.46) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL1003937 0.90 ENPP3 (0.49) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL6168788 0.85 MMP13 (0.42) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL5836945 0.81 ENPP3 (0.54) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL6168787 0.79 MMP13 (0.40) ENPP3ENPP1PDE4DKDM4EALDH1A1
SCHEMBL1001041 0.78 SCN10A (0.45) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL1004940 0.78 HDAC1 (0.42) HDAC1HDAC8HDAC6ENPP3ENPP1
SCHEMBL3035638 0.77 NPC1 (0.45) PDE4BKDM4EALDH1A1HPGDKMT2A
SCHEMBL68227 0.76 HDAC1 (0.43) HDAC1HDAC8HDAC6PDE4BKDM4E
SCHEMBL84528 0.76 ALDH1A1 (0.42) HDAC1HDAC8HDAC6ENPP3ENPP1

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-1501515-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
WO-2003090752-A1 TRIARYL-OXY-ARYLOXY-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 WO disclosed