SCHEMBL28761267

SCHEMBL28761267

CC(C)(C)CC(C)(C)c1ccc(OC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ SHBG P04278 1/20 0.53
▸ MDH1 P40925 10/20 0.48
▸ MDH2 P40926 10/20 0.48
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ELANE P08246 2/20 0.41
▸ HIF1A Q16665 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
SCHEMBL7620007 0.89 CYP3A4 (0.56) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL1064180 0.87 CYP3A4 (0.57) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL29943853 0.84 CYP3A4 (0.54) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL9457427 0.84 CYP3A4 (0.54) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL1836425 0.84 CYP3A4 (0.54) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL14586725 0.83 CYP3A4 (0.53) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL10529183 0.82 MAPT (0.69) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL14357618 0.81 CYP3A4 (0.51) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL14357630 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL4899225 0.80 CYP3A4 (0.50) SMN1; SMN2CYP3A4SHBGMDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114604951-B Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2023-05-09 — — CN claimed
CN-114604951-A Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2022-06-10 — — CN claimed
CN-114604951-B Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2023-05-09 — — CN disclosed
CN-114604951-B Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2023-05-09 — — CN disclosed
CN-114604951-B Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2023-05-09 — — CN disclosed
CN-114604951-A Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2022-06-10 — — CN disclosed
CN-114604951-A Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2022-06-10 — — CN disclosed
CN-114604951-A Application of p-tert-octyl phenoxy carboxylic acid in copper-containing wastewater treatment 厦门稀土材料研究所 2022-06-10 — — CN disclosed
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