SCHEMBL16984005

SCHEMBL16984005

CCCC(C)(C)OC(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(C4(c5ccc(C(C)(C)CCC)cc5)CC(C)CCC(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL19414621 0.96 NPC1 (0.34) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL16983808 0.89 ESR1 (0.38) CNR2MAPTTDP1L3MBTL1ESR1
SCHEMBL16984009 0.88 TDP1 (0.35) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL16983800 0.86 ESR1 (0.39) CNR2MAPTTDP1L3MBTL1ESR1
SCHEMBL19414759 0.85 ESR1 (0.37) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL16984011 0.84 ADORA3 (0.38) CNR2MAPTTDP1L3MBTL1
SCHEMBL19414622 0.83 — —
SCHEMBL16984006 0.81 ADORA3 (0.36) CNR2MAPTTDP1L3MBTL1
SCHEMBL16983804 0.80 MAPT (0.45) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL16983805 0.80 ESR1 (0.37) CNR2MAPTTDP1L3MBTL1ESR1

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-20150220007-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-08-06 — — US disclosed
Send feedback