SCHEMBL7314603

SCHEMBL7314603

CCC(Oc1ccc(C(c2ccc(OC)cc2OC)N(C=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 3/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ AKR1C3 P42330 3/20 0.32
▸ AKR1C2 P52895 3/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL6343747 0.86 PTGS1 (0.36) SMN1; SMN2TSHRFABP5TDP1L3MBTL1
SCHEMBL3367291 0.86 THRA (0.41) SMN1; SMN2TSHRFABP5HTTMEN1
SCHEMBL1000960 0.86 THRA (0.41) SMN1; SMN2TSHRFABP5HTTMEN1
SCHEMBL1623875 0.86 PTGS1 (0.36) SMN1; SMN2TSHRFABP5TDP1L3MBTL1
SCHEMBL6567974 0.82 FABP5 (0.37) PPARGPPARATSHRFABP5TDP1
SCHEMBL6763707 0.78 L3MBTL1 (0.38) PPARGPPARASMN1; SMN2TSHRTDP1
SCHEMBL38662011 0.69 PPARA (0.47) PPARGPPARASMN1; SMN2FABP5KMT2A
SCHEMBL16057913 0.69 MDM2 (0.46) FABP5MEN1KMT2A
SCHEMBL30216574 0.69 MDM2 (0.46) FABP5MEN1KMT2A
SCHEMBL6567976 0.69 MDM2 (0.46) FABP5MEN1KMT2A

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-1119529-B1 CHEMICAL CONSTRUCTS GLAXO GROUP LTD (GB) 2003-09-17 — — EP disclosed
EP-1119528-B1 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LTD (GB) 2002-08-28 — — EP disclosed
EP-1119529-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2001-08-01 — — EP disclosed
EP-1119528-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2001-08-01 — — EP disclosed
WO-2000020357-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2000-04-13 — — WO disclosed
WO-2000020112-A2 CHEMICAL CONSTRUCTS AND THEIR USES GLAXO GROUP LIMITED (GB) 2000-04-13 — — WO disclosed
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