SCHEMBL3984673

SCHEMBL3984673

CC(C)Cc1cc(OCCO)ccc1C1(c2ccc(OCCO)cc2CC(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.49
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL2687888 0.86 PDK2 (0.52) PDK2ALDH1A1RECQL
SCHEMBL2687952 0.82 PDK2 (0.51) PDK2ALDH1A1RECQL
SCHEMBL30309131 0.82 PDK2 (0.51) PDK2ALDH1A1RECQL
SCHEMBL973219 0.80 PDK2 (0.54) PDK2ALDH1A1RECQL
SCHEMBL29812837 0.80 PDK2 (0.57) PDK2ALDH1A1RECQL
SCHEMBL29009014 0.80 PDK2 (0.57) PDK2ALDH1A1RECQL
SCHEMBL806884 0.80 PDK2 (0.68) PDK2ALDH1A1RECQL
SCHEMBL30366138 0.79 PDK2 (0.39) PDK2ALDH1A1RECQL
SCHEMBL383342 0.79 PDK2 (0.39) PDK2ALDH1A1RECQL
SCHEMBL29632696 0.77 ESR1 (0.41) PDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541416-B2 Comprises 30 to 70 mol % of a structural unit comprising a bisphenyl fluorene structure and 70 to 30 mol % of a structural unit comprising tricyclo [5.2.1.02.6] decanedimethanol and causes little occurrence of a birefringence; high transparency, excellent heat resistance; optics MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-06-02 US disclosed
EP-1688451-B1 POLYCARBONATE COPOLYMER AND METHOD FOR PRODUCTION THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2008-03-19 EP disclosed
US-20070123685-A1 Polycarbonate copolymer and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-05-31 US disclosed
EP-1688451-A1 POLYCARBONATE COPOLYMER AND METHOD FOR PRODUCTION THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-08-09 EP disclosed