SCHEMBL6813620

SCHEMBL6813620

COC(=O)C(CCO)(C(=O)OC)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KCNN4 O15554 1/20 0.45
▸ PPARA Q07869 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42

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
SCHEMBL6818662 0.85 HDAC3 (0.49) HPGDSMN1; SMN2PPARANPC1ALDH1A1
SCHEMBL6810349 0.81 SMN1; SMN2 (0.46) HPGDSMN1; SMN2KCNN4NPC1ALDH1A1
SCHEMBL6810533 0.79 PTPRB (0.44) HPGDSMN1; SMN2KCNN4NPC1MAPK14
SCHEMBL3191632 0.78 SMN1; SMN2 (0.51) HPGDSMN1; SMN2KCNN4PPARANPC1
SCHEMBL7759944 0.76 SMN1; SMN2 (0.50) HPGDSMN1; SMN2KCNN4PPARANPC1
SCHEMBL9475849 0.76 CES1 (0.53) HPGDSMN1; SMN2KCNN4NPC1ALDH1A1
SCHEMBL16732175 0.76 KCNN4 (0.56) KCNN4ALDH1A1LMNAPOLBHTT
SCHEMBL9475853 0.75 NPC1 (0.48) HPGDSMN1; SMN2KCNN4NPC1ALDH1A1
SCHEMBL11508443 0.74 LTA4H (0.47) PPARANPC1ALDH1A1LMNAPOLB
SCHEMBL16732223 0.72 KCNN4 (0.51) HPGDSMN1; SMN2KCNN4NPC1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153015-B1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES HOFFMANN LA ROCHE (CH) 2004-09-29 — — EP disclosed
CN-1147481-C Pyrimidine-2,4,6-triones as inhibitors of matrix metalloproteinases - 2004-04-28 — — CN disclosed
CN-1339028-A Pyrimidine-2,4,6-triones as inhibitors of matrix metalloproteinases HOFFMANN LA ROCHE (CH) 2002-03-06 — — CN disclosed
EP-1153015-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-14 — — EP disclosed
US-6265578-B1 MATRIX METALLOPROTEASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-07-24 — — US disclosed
WO-2000047565-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-17 — — WO disclosed
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