SCHEMBL12973262

SCHEMBL12973262

C=CC(=O)OCCCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.70
TSHR P16473 7/20 0.62
ALDH1A1 P00352 4/20 0.62
TP53 P04637 3/20 0.62
HIF1A Q16665 3/20 0.62
CYP3A4 P08684 2/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL24595537 0.93 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19890324 0.93 THRB (0.64) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL39953 0.93 THRB (0.79) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL1087533 0.91 THRB (0.77) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16688128 0.90 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16675451 0.89 THRB (0.60) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2742410 0.89 THRB (0.74) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14900267 0.89 THRB (0.74) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14550296 0.87 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14550283 0.87 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A

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-20100304106-A1 GAS BARRIER LAMINATE FILM AND METHOD OF PRODUCING GAS BARRIER LAMINATE FILM FUJIFILM CORPORATION (JP) 2010-12-02 US disclosed
US-20100304106-A1 GAS BARRIER LAMINATE FILM AND METHOD OF PRODUCING GAS BARRIER LAMINATE FILM FUJIFILM CORPORATION (JP) 2010-12-02 US disclosed