SCHEMBL27769779

SCHEMBL27769779

COC(=O)C(O)(CC(C)(C)c1ccccc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CHRM3 P20309 8/20 0.46
CHRM2 P08172 7/20 0.46
CHRM1 P11229 7/20 0.46
CHRM4 P08173 6/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2C19 P33261 2/20 0.44
KCNN4 O15554 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL5373643 0.87 CHRM2 (0.47) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL27658104 0.85 CHRM2 (0.46) POLBKEAP1NFE2L2CHRM3CHRM2
Lithium Ion SCHEMBL27658106 0.84 CHRM2 (0.45) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL1610849 0.77 KEAP1 (0.68) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL27483674 0.77 KEAP1 (0.68) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL4741114 0.77 KEAP1 (0.68) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL1234889 0.75 KEAP1 (0.70) POLBKEAP1NFE2L2CHRM3CHRM2
SCHEMBL2655676 0.75 CHRM3 (0.64) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4208886 0.75 CHRM3 (0.64) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL522945 0.75 KEAP1 (0.70) POLBKEAP1NFE2L2CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878026-B Pharmacological adjunctive therapy associated with glaucoma filtration surgery BAUSCH & LOMB 2013-11-20 CN disclosed
CN-101484187-B Composition comprising dissociated glucocorticoid receptor agonist and immunosuppressant for treating dry eye BAUSCH & LOMB INCORPROATED 2012-12-26 CN disclosed
CN-101553214-B Compositions and methods for treating, controlling, reducing, ameliorating, or preventing allergy BAUSCH & LOMB INCORPROATED 2012-12-26 CN disclosed
CN-101969950-A Compositions comprising a dissociated glucocorticoid receptor agonist for treating or controlling anterior-segment inflammation BAUSCH & LOMB 2011-02-09 CN disclosed
CN-101878026-A Pharmacological adjunctive therapy associated with glaucoma filtration surgery BAUSCH & LOMB 2010-11-03 CN disclosed
CN-101553214-A Compositions and methods for treating, controlling, reducing, ameliorating, or preventing allergy BAUSCH & LOMB (US) 2009-10-07 CN disclosed
CN-101528208-A Compositions and methods for treating or preventing glaucoma or its progression BAUSCH & LOMB (US) 2009-09-09 CN disclosed
CN-101522196-A Treatment of infections and their sequelae with combined isolated glucocorticoid receptor agonists and anti-infective agents BAUSCH & LOMB (US) 2009-09-02 CN disclosed
CN-101522187-A Compositions and methods for treating, reducing, ameliorating, or alleviating posterior-segment ophthalmic diseases BAUSCH & LOMB (US) 2009-09-02 CN disclosed
CN-101484187-A Composition comprising dissociated glucocorticoid receptor agonist and immunosuppressant for treating dry eye BAUCH & LOMB INC (US) 2009-07-15 CN disclosed