SCHEMBL13027624

SCHEMBL13027624

C#CO[Si](CCc1ccccc1OC)(OC#C)OC#C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ AOC3 Q16853 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13027611 0.86 CA12 (0.45) ABCB1CA12CA1CA2CA14
SCHEMBL13027486 0.86 TAAR1 (0.36) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL13027594 0.85 CA12 (0.34) TAAR1KCNH2CA12CA1CA2
SCHEMBL1968082 0.83 TAAR1 (0.60) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL13027541 0.80 ACHE (0.41) ALDH1A1GAAMAPT
SCHEMBL13027548 0.80 SLC13A5 (0.41) TAAR1ALDH1A1GAAMAPT
SCHEMBL13027613 0.80 ADRA1A (0.54) TAAR1MTNR1AMTNR1BAOC3IDO1
SCHEMBL13027540 0.80 LMNA (0.32) TAAR1MTNR1BCA12CA1CA2
SCHEMBL13027618 0.80 APLNR (0.47) TAAR1CA12CA1CA2CA9
SCHEMBL13027502 0.80 TAAR1 (0.44) TAAR1CHRM2CA12CA1CA2

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-20100285407-A1 Composition for forming a silicon-containing antireflection film, substrate having the silicon-containing antireflection film from the composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-11 — — US disclosed
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