SCHEMBL15031402

SCHEMBL15031402

COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(COc5ccc(S(=O)(=O)c6ccc(Oc7ccc(-c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ ADAMTS4 O75173 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AR P10275 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ PTPRZ1 P23471 1/20 0.40
▸ MAOB P27338 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
SCHEMBL14498115 0.92 HTT (0.52) BCHEACHEADAMTS4HTTSMN1; SMN2
SCHEMBL13910298 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL12305031 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL4548600 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL10093718 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL686036 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL12200067 0.89 HTT (0.55) BCHEACHEHTTSMN1; SMN2ALDH1A1
SCHEMBL87194 0.88 BCHE (0.56) BCHEACHEADAMTS4SMN1; SMN2ALDH1A1
SCHEMBL12407772 0.88 BCHE (0.56) BCHEACHEADAMTS4SMN1; SMN2ALDH1A1
SCHEMBL12769558 0.87 HTT (0.58) ADAMTS4HTTSMN1; SMN2ALDH1A1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150504-A1 BLENDS OF POLYPHENYLENE ETHER SULFONE AND SILICONE POLYESTER CARBONATE SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-06-13 — — US disclosed
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