SCHEMBL3427337

SCHEMBL3427337

CCO[Si](CCc1ccc(Br)cc1)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 1/20 0.42
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
IDO1 P14902 2/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR2 P25090 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
SCHEMBL167111 0.90 CYP4F2 (0.37) TAAR1HTR2A
SCHEMBL927600 0.85 TRPA1 (0.33)
SCHEMBL3397084 0.82 CYP1A2 (0.43) TAAR1IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL12458731 0.82 CYP4F2 (0.33) TAAR1
SCHEMBL9908451 0.81 CA2 (0.48) TAAR1IDO1L3MBTL1
SCHEMBL8960954 0.81 GFER (0.48) TAAR1
SCHEMBL2399132 0.81 CALM1 (0.33) MAPK1
SCHEMBL12458723 0.81 CYP4F2 (0.33)
SCHEMBL9688030 0.81 TAAR1 (0.42) TAAR1POLBCTDSP1IDO1NPC1
SCHEMBL929637 0.81 CYP4F2 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246376-B1 Method for preparing particles with a conjugated polymer shell LEIBNIZ INST POLYMERFORSCHUNG (DE) 2014-03-05 EP disclosed
CN-102432924-A Rubber composition, method of making the same, and articles made therefrom MOMENTIVE PERFORMANCE MAT INC 2012-05-02 CN disclosed
EP-2246376-A1 Method for preparing particles with a conjugated polymer shell Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2010-11-03 EP disclosed