SCHEMBL7782837

SCHEMBL7782837

C=CC(=O)OCCOC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TBXAS1 P24557 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5162295 0.91 THRB (0.69) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7784208 0.87 THRB (0.63) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7784254 0.87 THRB (0.63) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2241350 0.87 THRB (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7777481 0.87 THRB (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL27412820 0.85 ALDH1A1 (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL27407741 0.85 ALDH1A1 (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18347622 0.85 ALDH1A1 (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2240396 0.85 ALDH1A1 (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL12933664 0.85 ALDH1A1 (0.58) THRBALDH1A1SMN1; SMN2MAPTLMNA

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-0885408-B1 A SCREEN PRINTING STENCIL SERICOL LTD (GB) 2001-10-17 EP disclosed
US-5994033-A GRAFT POLYMER SERICOL LIMITED (GB) 1999-11-30 US disclosed
EP-0885408-A1 A SCREEN PRINTING STENCIL SERICOL LIMITED (GB) 1998-12-23 EP disclosed
WO-1997033202-A1 A SCREEN PRINTING STENCIL SERICOL LIMITED (GB) 1997-09-12 WO disclosed