SCHEMBL5696759

SCHEMBL5696759

COCCOC(=O)Oc1ccc(OC(=O)OCCOC)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 2/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ELANE P08246 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5622084 0.94 CA1 (0.46) TSHRLMNAMAPTRAB9ACA1
SCHEMBL16732087 0.93 LMNA (0.50) TSHRKMT2ALMNAMAPTALDH1A1
SCHEMBL5622652 0.90 TSHR (0.55) TSHRKMT2ALMNAMAPTALDH1A1
SCHEMBL5622885 0.89 CHRM2 (0.42) TSHRLMNAMAPTRAB9ACA1
SCHEMBL1619298 0.88 LMNA (0.46) TSHRKMT2ALMNAMAPTALDH1A1
SCHEMBL13347917 0.88 TSHR (0.41) TSHRKMT2ALMNAMAPTALDH1A1
SCHEMBL21043417 0.87 TSHR (0.40) TSHRKMT2ALMNAMAPTALDH1A1
SCHEMBL409084 0.85 HTR2A (0.56) KMT2ALMNAMAPTALDH1A1HSD17B10
SCHEMBL9191894 0.82 TSHR (0.39) TSHRKMT2AMAPT
SCHEMBL23044637 0.82 HTR2A (0.53) KMT2ALMNAMAPTALDH1A1HSD17B10

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed