SCHEMBL28560914

SCHEMBL28560914

CCCCC(C(=O)ON)=C(C)[Si](OC)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.34
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.31
EPHX1 P07099 1/20 0.31
POLB P06746 1/20 0.30
POLA1 P09884 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
SCHEMBL28554588 0.93 FNTA (0.42) CES1CES2THRBFNTAFNTB
SCHEMBL28555036 0.93 FNTA (0.42) CES1CES2THRBFNTAFNTB
SCHEMBL28560731 0.83 CES2 (0.32) CES1CES2ALDH1A1TP53POLB
SCHEMBL28566607 0.81 FNTA (0.40) CES1CES2THRBFNTAFNTB
SCHEMBL28554494 0.81 FNTA (0.40) CES1CES2THRBFNTAFNTB
SCHEMBL28564014 0.78 POLB (0.40) CES1CES2THRBFNTAFNTB
SCHEMBL28575080 0.78 POLB (0.40) CES1CES2THRBFNTAFNTB
SCHEMBL28913391 0.77
SCHEMBL28559249 0.72 ALDH1A1 (0.32) CES1CES2ALDH1A1
SCHEMBL22438671 0.69 CES1 (0.59) CES1CES2ALDH1A1TP53CA1

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
CN-110511672-B Bottom-coating active siloxane composition and preparation method and application thereof 广东普赛达密封粘胶有限公司 2021-05-04 CN disclosed