SCHEMBL27920108

SCHEMBL27920108

CC(=O)OCCC(Cl)c1cccc(Br)c1.O[Si](O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CTSA P10619 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC6A9 P48067 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RET P07949 1/20 0.34
PRKX P51817 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34

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
SCHEMBL18986921 0.78 ALDH1A1 (0.38) LMNATSHRCTSAALDH1A1SLC6A9
SCHEMBL17009099 0.78 ALDH1A1 (0.46) LMNAALDH1A1
SCHEMBL3832812 0.77 CTSA (0.39) CTSAALDH1A1SLC6A9
SCHEMBL27920128 0.76 SLC6A2 (0.33) LMNATSHRCTSAALDH1A1
SCHEMBL10520837 0.72 IDO1 (0.39) ALDH1A1
SCHEMBL27775301 0.69 CHRNB2 (0.40) LMNATSHRCTSAALDH1A1
SCHEMBL28696232 0.68 FOLH1 (0.45)
SCHEMBL6680507 0.68 IDO1 (0.41) CTSAALDH1A1
SCHEMBL14852200 0.68 MAOB (0.49) ALDH1A1
SCHEMBL24369516 0.68 TAAR1 (0.49) LMNAALDH1A1

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
CN-103333195-A Silicic acid-3-(3-bromophenyl)-chloropropyl acetate compound used as fire retardant and preparation method thereof USTC UNIV SCIENCE TECH CN 2013-10-02 CN disclosed
CN-103333195-A Silicic acid-3-(3-bromophenyl)-chloropropyl acetate compound used as fire retardant and preparation method thereof USTC UNIV SCIENCE TECH CN 2013-10-02 CN disclosed