SCHEMBL2533988

SCHEMBL2533988

CC(C)(C)C(=O)OCCCCC[O]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCA P17252 3/20 0.38
NAAA Q02083 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX1 P07099 1/20 0.35
ACHE P22303 6/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL2533276 1.00 POLB (0.40) POLBGAANPSR1PRKCANAAA
SCHEMBL2526278 0.98 POLB (0.41) POLBGAANPSR1PRKCANAAA
SCHEMBL2531851 0.91 POLB (0.42) POLBGAANPSR1PRKCANAAA
SCHEMBL29049106 0.91 POLB (0.44) POLBGAANPSR1PRKCANAAA
SCHEMBL27819169 0.89 POLB (0.46) POLBGAANPSR1PRKCANAAA
SCHEMBL7092851 0.85 POLB (0.39) POLBGAANPSR1PRKCANAAA
SCHEMBL7989588 0.84 POLB (0.46) POLBGAANPSR1PRKCANAAA
SCHEMBL2533277 0.83 CYP4F2 (0.53) POLBGAANPSR1PRKCANAAA
SCHEMBL20286477 0.83 ALDH1A1 (0.48) POLBGAANPSR1PRKCANAAA
SCHEMBL2533990 0.83 CYP4F2 (0.53) POLBGAANPSR1PRKCANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171223-B Sulfur-containing silanes, filled elastomer compositions containing same, and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-04-20 CN claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
CN-102171223-B Sulfur-containing silanes, filled elastomer compositions containing same, and articles made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-04-20 CN disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed