SCHEMBL28789394

SCHEMBL28789394

c1cc(C2=NCCO2)ccc1Oc1ccc(C(c2ccc(Oc3ccc(C4=NCCO4)cc3)cc2)c2ccc(Oc3ccc(C4=NCCO4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.54
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ USP9X Q93008 1/20 0.33
▸ LSS P48449 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL11782167 0.90 LTA4H (0.62) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL28789319 0.82 LTA4H (0.56) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL132013 0.78 KCNH2 (0.49) LTA4HKCNH2HRH3USP9XLSS
SCHEMBL9649082 0.78 LTA4H (0.52) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL13517962 0.76 KCNH2 (0.50) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL15976794 0.76 KCNH2 (0.50) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL2425517 0.73 KCNH2 (0.39) LTA4HKCNH2HRH3NISCHUSP9X
SCHEMBL7448223 0.73 KCNH2 (0.45) LTA4HKCNH2HRH3MEN1KMT2A
SCHEMBL23576315 0.72 KCNH2 (0.47) LTA4HKCNH2HRH3ACKR3LSS
SCHEMBL9668080 0.72 HRH3 (0.68) LTA4HKCNH2HRH3ACKR3

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
CN-114736358-B Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-12-13 — — CN claimed
CN-114736358-A Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-07-12 — — CN claimed
CN-114736358-B Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-12-13 — — CN disclosed
CN-114736358-A Preparation method and recovery method of recyclable PETG material 河南源宏高分子新材料有限公司 2022-07-12 — — CN disclosed
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