SCHEMBL3515161

SCHEMBL3515161

CCCCOC(CC)C(C(=O)O)=C(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CA1 P00915 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CYP4F2 P78329 3/20 0.30
CYP4A11 Q02928 3/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL3515163 0.74 KDM4E (0.36) ALDH1A1THRATHRBTSHR
SCHEMBL3515157 0.74 KDM4E (0.36) ALDH1A1THRATHRBTSHR
SCHEMBL446035 0.74 CYP4F2 (0.44) CA2MAPK1ALDH1A1TP53TSHR
SCHEMBL2690161 0.71 CA2 (0.38) CA2MAPK1ALDH1A1CA1TP53
SCHEMBL8960878 0.70 ATM (0.37) CA2MAPK1ALDH1A1TP53TSHR
SCHEMBL11128347 0.70 ALDH1A1 (0.41) CA2MAPK1ALDH1A1CA1TSHR
SCHEMBL3516780 0.69
SCHEMBL3516784 0.69
SCHEMBL11138013 0.69 CA1 (0.45) CA2MAPK1ALDH1A1CA1TSHR
SCHEMBL11138012 0.69 ALDH1A1 (0.40) CA2MAPK1ALDH1A1CA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed