SCHEMBL9138752

SCHEMBL9138752

C=CC(=O)OCCC(=O)OCC(CO)(COC(=O)CCOC(=O)C=C)COC(=O)CCOC(=O)C=C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
TP53 P04637 3/20 0.70
HIF1A Q16665 3/20 0.70
CYP3A4 P08684 2/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
TSHR P16473 7/20 0.50
THRB P10828 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.42

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
SCHEMBL10734340 0.97 ALDH1A1 (0.65) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2459436 0.91 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9143977 0.91 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9142684 0.91 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24195723 0.89 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055859 0.86 ALDH1A1 (0.76) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL26563675 0.86 ALDH1A1 (0.65) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055880 0.85 ALDH1A1 (0.73) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1562777 0.85 THRB (0.66) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055869 0.85 ALDH1A1 (0.73) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-5389722-A Copolymerizing unsaturated monomers with acrylated ester compound; used as absorbent NIPPON SHOKUBAI CO., LTD. (JP) 1995-02-14 US disclosed
EP-0574202-A1 Hydrophilic resin and method for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 1993-12-15 EP disclosed