SCHEMBL6810349

SCHEMBL6810349

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ TGM2 P21980 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KCNN4 O15554 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ NPY5R Q15761 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
SCHEMBL3593284 0.88 KCNN4 (0.53) SMN1; SMN2HTTGAACYP2C19POLB
SCHEMBL6813620 0.81 HPGD (0.46) SMN1; SMN2HTTRAB9ACYP2C19HPGD
SCHEMBL6810533 0.78 PTPRB (0.44) SMN1; SMN2RAB9AHPGDKCNN4NPC1
SCHEMBL29220422 0.78 ALDH1A1 (0.51) SMN1; SMN2HTTGAARAB9AGLA
SCHEMBL4015143 0.76 KCNN4 (0.53) SMN1; SMN2HTTGAACYP2C19POLB
SCHEMBL6818662 0.76 HDAC3 (0.49) SMN1; SMN2HTTGAARAB9AHPGD
SCHEMBL19858735 0.74 RAB9A (0.45) SMN1; SMN2HTTGAARAB9AGLA
SCHEMBL3191632 0.74 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AHPGDPOLBALDH1A1
SCHEMBL10951249 0.74 ALDH1A1 (0.50) SMN1; SMN2HTTPOLBALDH1A1TSHR
SCHEMBL7715181 0.73 ALDH1A1 (0.67) SMN1; SMN2HTTCYP2C19ALDH1A1TSHR

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
Send feedback