SCHEMBL3514271

SCHEMBL3514271

CCCCC(CC)CC(C(=O)O)=C(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
ALDH1A1 P00352 4/20 0.41
RECQL P46063 1/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 3/20 0.34
BCL2L1 Q07817 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
SCHEMBL3514267 1.00 CA2 (0.42) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL226707 0.86 CA2 (0.50) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL183724 0.86 CA2 (0.50) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL225441 0.86 CA2 (0.50) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5665387 0.81 CA2 (0.38) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5665383 0.81 CA2 (0.38) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL11851900 0.80 RECQL (0.50) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5611375 0.79 CA2 (0.49) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5611373 0.79 CA2 (0.49) CA2ALDH1A1RECQLCYP3A4TSHR
SCHEMBL5611571 0.78 FNTA (0.49) CA2ALDH1A1CYP3A4TSHRTDP1

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