SCHEMBL27769601

SCHEMBL27769601

CC(=O)CC(c1ccccc1)c1nccs1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.61

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
SCHEMBL1669626 0.85 CTSA (0.52) CTSA
SCHEMBL27911957 0.85 CTSA (0.59) CTSA
SCHEMBL1458949 0.85 CTSA (0.61) CTSA
SCHEMBL17284357 0.76 CTSA (1.00) CTSA
SCHEMBL109205 0.76 LMNA (0.53)
SCHEMBL3519472 0.76 CTSA (0.61) CTSA
SCHEMBL8145856 0.76 HTR2A (0.52) CTSA
SCHEMBL17294112 0.76 HTR2A (0.52) CTSA
SCHEMBL13318258 0.74 CTSA (0.52) CTSA
SCHEMBL13318257 0.74 CTSA (0.52) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203985-A Cyclodextrin-based polymers for therapeutic delivery CERULEAN PHARMA INC 2014-12-10 CN disclosed
CN-103037903-A Compositions and methods for treating autoimmune or other diseases CERULEAN PHARMA INC 2013-04-10 CN disclosed
CN-101627049-B Synthesis of phthalamides CARA THERAPEUTICS INC 2012-09-05 CN disclosed
CN-102388053-A Hydroxythienoquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS INC 2012-03-21 CN disclosed
CN-102026622-A Improved topical ophthalmic compositions BAUSCH & LOMB 2011-04-20 CN disclosed
CN-101965183-A Ophthalmic NSAID as an adjuvant ISTA PHARMACEUTICALS INC 2011-02-02 CN disclosed
CN-101938991-A Phenylephrine pharmaceutical formulations and compositions for transmucosal absorption SCHERING PLOUGH HEALTHCARE 2011-01-05 CN disclosed
CN-101889022-A Trimeric IL-1Ra ANAPHORE INC 2010-11-17 CN disclosed
CN-101627049-A Synthesis of phthalamides CARA THERAPEUTICS INC 2010-01-13 CN disclosed