SCHEMBL21318616

SCHEMBL21318616

CCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)c4ccc(-c5ccc(C(=O)C(C)(C)CC)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.54
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ RARA P10276 2/20 0.32
▸ RARB P10826 2/20 0.32
▸ THRB P10828 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ MMP2 P08253 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
SCHEMBL12473086 0.97 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL12472031 0.94 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL17814938 0.87 MAPT (0.40) TDP1SMN1; SMN2LMNATP53MAPT
SCHEMBL13660272 0.86 ADORA3 (0.46) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL10046812 0.85 ADORA3 (0.60) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL13660290 0.84 ADORA3 (0.50) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL12352822 0.83 ADORA3 (0.55) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL10084007 0.82 ADORA3 (0.60) ADORA3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL253891 0.81 ADORA3 (0.47) ADORA3SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL12352775 0.81 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3TDP1

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-20190270846-A1 POLYARYLATE RESIN AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2019-09-05 — — US disclosed
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