SCHEMBL13027602

SCHEMBL13027602

C#CO[Si](CCc1cc(OC)cc(OC)c1)(OC#C)OC#C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.42
▸ CALM1 P0DP23 4/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 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
SCHEMBL13027538 0.91 TACR1 (0.35) CYP19A1CALM1AKR1B1FGFR1KDR
SCHEMBL13027612 0.84 TAAR1 (0.53) —
SCHEMBL13027609 0.83 TAAR1 (0.47) CALM1
SCHEMBL13027448 0.81 CYP19A1 (0.50) CYP19A1CALM1AKR1B1ALDH1A1FGFR1
SCHEMBL13027626 0.80 HTR2A (0.35) CYP19A1AKR1B1PTGS2
SCHEMBL13027597 0.80 CYP1A2 (0.35) ALDH1A1PTGS2
SCHEMBL13027607 0.80 HTR2A (0.50) CYP19A1PTGS2
SCHEMBL13027499 0.79 — —
SCHEMBL13027508 0.77 — —
SCHEMBL13027521 0.76 TNKS2 (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 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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