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SCHEMBL13660272

SCHEMBL13660272

CCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)c4ccc(Oc5ccc(C(=O)C(C)(CC)C(C)Oc6ccc(C7(c8ccc(OC(=O)c9ccc(C(=O)C(C)(C)CC)cc9)cc8)CCCCC7)cc6)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33

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
SCHEMBL14274575 0.93 ADORA3 (0.42) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL12472031 0.91 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL12473086 0.89 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL21318616 0.86 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL13660290 0.84 ADORA3 (0.50) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL10046812 0.78 ADORA3 (0.60) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL22793535 0.77 ADORA3 (0.43) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL13660390 0.76 L3MBTL1 (0.32) —
SCHEMBL12352822 0.76 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL12352775 0.75 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3

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-7604913-B2 Electrophotographic photosensitive body MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-20 — — US disclosed
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