SCHEMBL9504845

SCHEMBL9504845

C=CC(=O)OCCC(O)C(CCOC(=O)C=C)(CCOC(=O)C=C)n1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 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
SCHEMBL6906483 0.78 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL152168 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9504850 0.75 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28522204 0.74 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2450482 0.73 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6905749 0.72 THRB (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL152169 0.72 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7640851 0.70 ALDH1A1 (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1022968 0.69 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28004951 0.67 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348063-B1 THERMOPLASTIC ELASTOMER AND PHOTOSENSITIVE RESIN COMPOSITION BASED THEREON, AND PRINTING PLATE PRECURSOR COMPRISING THE COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-05-26 EP disclosed
US-5053316-A THERMOPLASTIC ELASTOMER AND PHOTOSENSITIVE RESIN COMPOSITION BASED THEREON, AND PRINTING PLATE PRECURSOR COMPRISING THE COMPOSITION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1991-10-01 US disclosed
EP-0348063-A1 Thermoplastic elastomer and photosensitive resin composition based thereon, and printing plate precursor comprising the composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-12-27 EP disclosed