SCHEMBL13266335

SCHEMBL13266335

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.57
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ 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
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 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
SCHEMBL14040202 0.92 ADORA3 (0.58) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL13708298 0.91 ADORA3 (0.59) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL13478279 0.88 ADORA3 (0.45) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL14827265 0.85 ELANE (0.40) ADORA3PPARAESR1KMT2AMEN1
SCHEMBL19431649 0.84 ADORA3 (0.63) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL13380378 0.83 ADORA3 (0.62) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL19431650 0.83 ADORA3 (0.65) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL20671319 0.83 ADORA3 (0.65) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL12964436 0.82 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2PPARA
SCHEMBL10084007 0.82 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183330-A1 IMAGE-FORMING APPARATUS AND CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-07-22 — — US disclosed
EP-1184728-B1 Single-layer type electrophotosensitive material KYOCERA MITA CORP (JP) 2008-01-02 — — EP disclosed
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