SCHEMBL5080349

SCHEMBL5080349

CCCC(C)(C)c1cc(OC)cc(C(C)(C)CCC)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
PTGS2 P35354 1/20 0.41
BACE1 P56817 1/20 0.37
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CALM1 P0DP23 1/20 0.35
EGFR P00533 1/20 0.35
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 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
SCHEMBL9652029 0.86 CA1 (0.53) CA1CA2PTGS2CYP3A4MAPT
SCHEMBL10953728 0.85 CA2 (0.64) CA1CA2PTGS2BACE1CYP3A4
SCHEMBL7650247 0.81 CA1 (0.41) CA1CA2PTGS2CNR1CNR2
SCHEMBL11786492 0.81 GAA (0.50) CA1CA2BACE1ALDH1A1MAPT
SCHEMBL8926209 0.80 CA2 (0.38) CA1CA2PTGS2CYP3A4ALDH1A1
SCHEMBL5079358 0.79 CA2 (0.62) CA1CA2PTGS2BACE1CYP3A4
SCHEMBL11205488 0.79 ALDH1A1 (0.36) CA1CA2PTGS2CYP3A4ALDH1A1
SCHEMBL1835827 0.79 CNR2 (0.38) CA1CA2ALDH1A1CNR1CNR2
SCHEMBL11661752 0.79 ALDH1A1 (0.56) CA1CA2PTGS2CYP3A4ALDH1A1
SCHEMBL19142342 0.78 CA1 (0.56) CA1CA2PTGS2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125531-A1 Polymerizable Composition, Thermoplastic Resin Composition, Crosslinked Resin, And Crosslinked Resin Composite Materials ZEON COROPRATION (JP) 2008-05-29 US disclosed
EP-1589054-A1 POLYMERIZABLE COMPOSITION, THERMOPLASTIC RESIN COMPOSITION, CROSSLINKED RESIN, AND CROSSLINKED RESIN COMPOSITE MATERIALS Zeon Corporation (JP) 2005-10-26 EP disclosed
US-4552682-A Peroxide composition containing phenolic antioxidant PPG INDUSTRIES, INC. (US) 1985-11-12 US disclosed