SCHEMBL495831

SCHEMBL495831

CCC(C)COC(=O)c1cc(O)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
EGFR P00533 8/20 0.53
MAPT P10636 1/20 0.51
SERPINE1 P05121 1/20 0.45
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL495829 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL39181 0.86 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL7129989 0.82 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL9626568 0.82 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL7129984 0.82 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL9626786 0.82 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL9340876 0.82 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL23484284 0.82 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1552226 0.81 LMNA (0.63) CA2MAPTLMNA
SCHEMBL29457603 0.80 CA12 (1.00) CA12CA1CA2CA7CA9

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
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed