SCHEMBL27769764

SCHEMBL27769764

CC(C)(C)CC(O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
FDPS P14324 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
MMP8 P22894 4/20 0.41
TRPA1 O75762 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3657467 0.84 PGR (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL419615 0.84 SMN1; SMN2 (0.59) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL7908766 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL7908936 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL687447 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL3730337 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL10825185 0.78 HIF1A (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL10029155 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL7300860 0.77 SLC13A5 (0.56) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL27639696 0.77 SMN1; SMN2 (0.62) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS

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-101522187-A Compositions and methods for treating, reducing, ameliorating, or alleviating posterior-segment ophthalmic diseases BAUSCH & LOMB (US) 2009-09-02 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-101484187-A Composition comprising dissociated glucocorticoid receptor agonist and immunosuppressant for treating dry eye BAUCH & LOMB INC (US) 2009-07-15 CN disclosed