SCHEMBL9709351

SCHEMBL9709351

C[Si](C)(C)COC(=O)C(=CC(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HSD11B1 P28845 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
SCHEMBL27619572 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL27638615 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9709232 0.80 CES2 (0.33) CES2CES1
SCHEMBL27619484 0.78 HCAR2 (0.41) ALDH1A1
SCHEMBL9709551 0.76
SCHEMBL28436216 0.72 EPHX1 (0.38) CES2CES1
SCHEMBL1832495 0.72 EPHX1 (0.38) CES2CES1
SCHEMBL1794603 0.70 CES2 (0.44) ALDH1A1CES2CES1HSD11B1
SCHEMBL164961 0.70 CES2 (0.44) ALDH1A1CES2CES1HSD11B1
SCHEMBL164962 0.70 CES2 (0.44) ALDH1A1CES2CES1HSD11B1

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 1 patent. 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