SCHEMBL12040668

SCHEMBL12040668

CCCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)C(C)C)cc3)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.54
▸ ELANE P08246 3/20 0.39
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ BACE1 P56817 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13708298 0.91 ADORA3 (0.59) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL15084063 0.90 ADORA3 (0.57) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL21785623 0.86 ADORA3 (0.54) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL13328173 0.85 ADORA3 (0.55) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL10030680 0.84 ADORA3 (0.57) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL14462629 0.83 ADORA3 (0.56) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL13168810 0.82 ADORA3 (0.55) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL13266335 0.82 ADORA3 (0.57) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL19431649 0.80 ADORA3 (0.63) ADORA3ELANESLC6A4SLC6A3SLC6A2
SCHEMBL22244085 0.80 ADORA3 (0.57) ADORA3ELANESLC6A4SLC6A3SLC6A2

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-20110299887-A1 IMAGE FORMING APPARATUS KYOCERA MITA CORPORATION (JP) 2011-12-08 — — US disclosed
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