SCHEMBL8735261

SCHEMBL8735261

CC(C)(C)C1(OC(=O)C=CC(=O)OC2(C(C)(C)C)CCCCC2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL8107870 1.00 KEAP1 (0.31) KEAP1NFE2L2HCAR2
SCHEMBL9709183 0.98 KEAP1 (0.32) KEAP1NFE2L2HCAR2
SCHEMBL8107891 0.93 HCAR2 (0.39) HCAR2
SCHEMBL8107874 0.93 HCAR2 (0.39) HCAR2
SCHEMBL9709185 0.91 HCAR2 (0.41) HCAR2
SCHEMBL9709193 0.91 HCAR2 (0.41) HCAR2
SCHEMBL5828037 0.91
SCHEMBL5828041 0.91
SCHEMBL57573 0.85
SCHEMBL31564977 0.82 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600269-B1 Soft ocular lens material MENICON CO LTD (JP) 1998-02-04 EP disclosed
US-5416180-A Fluorine containing (meth)acrylate polymers MENICON CO., LTD. (JP) 1995-05-16 US disclosed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP disclosed
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed