SCHEMBL27754281

SCHEMBL27754281

OCC(CO)(CO)COCCCOCC(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CES1 P23141 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL854618 0.89 TSHR (0.33) TSHRMAPK1
SCHEMBL4075297 0.88 MEN1 (0.37) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15146724 0.85 ODC1 (0.36) CYP3A4
SCHEMBL1115450 0.85 TSHR (0.52) TSHRALDH1A1CES1CYP3A4SMN1; SMN2
SCHEMBL10778122 0.85
SCHEMBL16250375 0.83 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL10476962 0.83 CES1 (0.52) TSHRCES1SMN1; SMN2
SCHEMBL7906898 0.82 MEN1 (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL7905889 0.82 MEN1 (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL3841379 0.82 TSHR (0.50) TSHRALDH1A1TP53CYP3A4MAPK1

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
CN-101511944-B Thermoplastic resin composition and molded article thereof TORAY INDUSTRIES 2011-08-24 CN disclosed
CN-101511944-A Thermoplastic resin composition and molded article thereof TORAY INDUSTRIES (JP) 2009-08-19 CN disclosed