SCHEMBL17147308

SCHEMBL17147308

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ ELANE P08246 4/20 0.41
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL22244085 0.92 ADORA3 (0.57) ADORA3ELANEESR1ESR2OPRM1
SCHEMBL10084007 0.91 ADORA3 (0.60) ADORA3ELANEESR1ESR2SLC6A2
SCHEMBL13380378 0.87 ADORA3 (0.62) ADORA3ELANEESR1ESR2SLC6A2
SCHEMBL13328173 0.86 ADORA3 (0.55) ADORA3ELANEESR1ESR2OPRM1
SCHEMBL12964436 0.86 ADORA3 (0.60) ADORA3ELANEESR1ESR2SLC6A2
SCHEMBL10030680 0.85 ADORA3 (0.57) ADORA3ELANEESR1ESR2OPRM1
SCHEMBL19431649 0.83 ADORA3 (0.63) ADORA3ELANEESR1ESR2SLC6A2
SCHEMBL14613360 0.83 ADORA3 (0.51) ADORA3ELANEESR1ESR2OPRM1
SCHEMBL10122316 0.82 ADORA3 (0.62) ADORA3ELANEESR1ESR2SLC6A2
SCHEMBL18685684 0.82 ADORA3 (0.51) ADORA3ELANEESR1ESR2SLC6A2

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-9772596-B2 Image forming apparatus and electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2017-09-26 — — US disclosed
US-20150286182-A1 IMAGE FORMING APPARATUS AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2015-10-08 — — US disclosed
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