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Sugi Predict / Compounds / SCHEMBL17856236

SCHEMBL17856236

SCHEMBL17856236

C[Si](C)(C)C#Cc1c2cc3c(cc2c(C#C[Si](C)(C)C)c2cc4c(cc12)c1cc(-c2ccccc2)cc2c5cc6c(C#C[Si](C)(C)C)c7cc8c(cc7c(C#C[Si](C)(C)C)c6cc5c5cc(-c6ccccc6)cc4c5c12)c1cc(-c2ccccc2)cc2ccc4cc(-c5ccccc5)cc8c4c21)c1cc(-c2ccccc2)cc2ccc4cc(-c5ccccc5)cc3c4c21

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PSMB5 P28074 1/20 0.30

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
SCHEMBL17856237 0.78 CYP1A2 (0.42) L3MBTL1
SCHEMBL15851389 0.74 ESR1 (0.40) —
SCHEMBL652147 0.71 ELANE (0.41) GAA
SCHEMBL19852789 0.70 CYP1A2 (0.35) —
SCHEMBL14514096 0.69 ELANE (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12861304 0.69 ESR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1470735 0.67 ALDH1A1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29690232 0.67 ALDH1A1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5474707 0.67 PDE9A (0.40) —
SCHEMBL5014197 0.67 CYP1A2 (0.38) GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10340049-B2 Alpha/beta radiation shielding materials SAVANNAH RIVER NUCLEAR SOLUTIONS, LLC (US) 2019-07-02 — — US disclosed
US-20180040387-A1 Alpha/Beta Radiation Shielding Materials BATTELLE SAVANNAH RIVER ALLIANCE, LLC 2018-02-08 — — US disclosed
US-20180040387-A1 Alpha/Beta Radiation Shielding Materials BATTELLE SAVANNAH RIVER ALLIANCE, LLC 2018-02-08 — — US disclosed
US-20160180979-A1 Reinforced Radiological Containment Bag BATTELLE SAVANNAH RIVER ALLIANCE, LLC 2016-06-23 — — US disclosed
US-20160180979-A1 Reinforced Radiological Containment Bag BATTELLE SAVANNAH RIVER ALLIANCE, LLC 2016-06-23 — — US disclosed