SCHEMBL16804323

SCHEMBL16804323

CCO[Si](CCCNC(=O)c1ccccc1S(=O)(=O)O)(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.51
▸ HTT P42858 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NAAA Q02083 1/20 0.45
▸ HPGD P15428 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL12922989 0.83 TSHR (0.50) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL29114684 0.83 TSHR (0.71) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL5052168 0.82 NAAA (0.63) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL14264611 0.82 HPGD (0.58) HCRTR1HTTTSHRHPGDSMN1; SMN2
SCHEMBL1221419 0.82 HTT (0.56) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL23302178 0.81 HTT (0.55) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL9494657 0.81 HPGD (0.56) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL29394858 0.81 HTT (0.55) HCRTR1HTTTSHRNAAAHPGD
SCHEMBL12923000 0.80 TSHR (0.56) HCRTR1HTTTSHRNAAAHPGD
Malonic Acid SCHEMBL27542061 0.79 HTT (0.52) HCRTR1HTTTSHRNAAAHPGD

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
US-9329479-B2 Lithographic printing plate precusor AGFA GRAPHICS NV (BE) 2016-05-03 — — US disclosed
US-20150168837-A1 LITHOGRAPHIC PRINTING PLATE PRECUSOR ECO3 BV (BE) 2015-06-18 — — US disclosed
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