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Sugi Predict / Compounds / SCHEMBL7718673

SCHEMBL7718673

SCHEMBL7718673

C=CC(=O)OCCC[SiH](OC)OC.C=CC(=O)OCCC[Si](OC)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TP53 P04637 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ THRB P10828 1/20 0.31

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
SCHEMBL2496765 0.89 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL139742 0.83 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28074744 0.82 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL6440674 0.81 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL80819 0.79 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23174784 0.77 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16286524 0.77 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL6151225 0.77 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28044492 0.76 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8639379 0.75 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53

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-6376615-B1 USING FREE RADICALS CENTRO DE INVESTIGACION EN QUIMICA APLICADA (MX) 2002-04-23 — — US disclosed