SCHEMBL11202105

SCHEMBL11202105

C=CC(=O)OCCC(=O)OC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL30572291 0.97 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12205939 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11696650 0.87 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26108097 0.86 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14633866 0.85 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL820628 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17760677 0.81 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17760717 0.81 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28115137 0.80 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17131746 0.80 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087304-A1 Non-aqueous compositions, method of making them, use thereof as or in adhesives, and article adhered therewith ROHM AND HAAS COMPANY (US) 1983-08-31 EP claimed
CN-118843957-A Binder, electrode mixture, electrode, and lithium ion secondary battery 株式会社吴羽 2024-10-25 CN disclosed
CN-118843958-A Binder, electrode mixture, electrode, and lithium ion secondary battery 株式会社吴羽 2024-10-25 CN disclosed
US-4065423-A Paper coating latex compositions containing copolymers of monovinylidene aromatic monomer, aliphatic conjugated diene and an aryloyloxycarboxylic acid monomer UNIROYAL, INC. (US) 1977-12-27 US disclosed