SCHEMBL6818662

SCHEMBL6818662

CCCCCCC(C(=O)OC)(C(=O)OC)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ PPARA Q07869 1/20 0.43
▸ CETP P11597 1/20 0.42
▸ FAAH O00519 6/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL6813838 0.88 LTA4H (0.50) HDAC3LTA4HPPARACETPFAAH
SCHEMBL6813620 0.85 HPGD (0.46) HDAC3LTA4HPPARAHPGDSMN1; SMN2
SCHEMBL10943740 0.82 KCNN4 (0.46) NAAAPOLBATML3MBTL1ALDH1A1
SCHEMBL10947074 0.82 KCNN4 (0.46) NAAAPOLBATML3MBTL1ALDH1A1
SCHEMBL10946564 0.82 KCNN4 (0.46) NAAAPOLBATML3MBTL1ALDH1A1
SCHEMBL6552542 0.81 SCN5A (0.46) NAAAPOLBALDH1A1GAAMAPT
SCHEMBL10945058 0.80 SRC (0.48) NAAAPOLBALDH1A1GAA
SCHEMBL28003859 0.79 ZDHHC2 (0.44) FAAHGAA
SCHEMBL28080179 0.77 KCNN4 (0.50) RAB9APOLBL3MBTL1ALDH1A1GAA
SCHEMBL16732175 0.77 KCNN4 (0.56) RAB9APOLBL3MBTL1ALDH1A1GAA

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-1153015-B1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES HOFFMANN LA ROCHE (CH) 2004-09-29 — — EP 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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