SCHEMBL3515265

SCHEMBL3515265

CCCCC(CC)C/C(C(=O)O)=C(\C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 4/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 4/20 0.37
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL3515268 1.00 CA2 (0.42) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL183724 0.84 CA2 (0.50) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL226707 0.84 CA2 (0.50) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL225441 0.84 CA2 (0.50) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL7201092 0.82 CA2 (0.37) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5611373 0.78 CA2 (0.49) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5611375 0.78 CA2 (0.49) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5611571 0.77 FNTA (0.49) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5611575 0.77 FNTA (0.49) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5611301 0.75 FNTA (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
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