SCHEMBL11076796

SCHEMBL11076796

CC(C)(C(=O)O)C(O[Si](C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL6049430 0.85 KCNN4 (0.42) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL16391353 0.80 KMT2A (0.46) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL11074581 0.78 CHRM1 (0.37) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL5875568 0.73 MAPK1 (0.34) ALDH1A1MAPK1
SCHEMBL28245985 0.71 KMT2A (0.40) L3MBTL1ATMKMT2ATDP1CYP2D6
SCHEMBL2896278 0.71 NR3C1 (0.47) L3MBTL1ATMKMT2ATDP1CYP2D6
SCHEMBL11663964 0.71 L3MBTL1 (0.45) L3MBTL1ATMKMT2ATDP1CYP2D6
SCHEMBL9683893 0.71 AOC3 (0.57) L3MBTL1ATMKMT2AALDH1A1TDP1
SCHEMBL60356 0.71 AOC3 (0.57) L3MBTL1ATMKMT2AALDH1A1TDP1
SCHEMBL10937313 0.71 CYP2D6 (0.45) KMT2AALDH1A1CYP3A4CYP2D6SRC

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
US-4448980-A BY CARBONYLATION WITH BIFLUORIDE CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-15 — — US disclosed
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