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SCHEMBL12697220

SCHEMBL12697220

CCC(COCC1CO1)(COCC1CO1)COC(=O)CC(CC(=O)OCC(CC)(COCC1CO1)COCC1CO1)C(=O)OCC(CC)(COCC1CO1)COCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MGLL Q99685 2/20 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
SCHEMBL12697180 0.90 TSHR (0.41) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL23306977 0.88 TSHR (0.41) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL23306979 0.86 TSHR (0.40) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL12697075 0.80 TSHR (0.41) TSHRMAPK1ALDH1A1TP53CYP3A4
Bicarbonate SCHEMBL17599133 0.80 TSHR (0.53) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL21650711 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1MGLL
SCHEMBL12697155 0.78 TSHR (0.40) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL36668 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL23734812 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1TP53CYP3A4
SCHEMBL13067061 0.78 TSHR (0.63) TSHRMAPK1ALDH1A1TP53CYP3A4

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
WO-2012128325-A1 POLYFUNCTIONAL EPOXY COMPOUND 日産化学工業株式会社 (JP) 2012-09-27 — — WO disclosed