SCHEMBL19821803

SCHEMBL19821803

CCC(C)C(=O)OCC(CO)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MME P08473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
BIRC2 Q13490 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
CA14 Q9ULX7 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL19821857 0.82 HSD17B10 (0.33) CA1CA2HSD17B10TSHR
SCHEMBL15233499 0.80 HSD17B10 (0.42) CA1CA2SMN1; SMN2HSD17B10BIRC2
SCHEMBL19821929 0.80
SCHEMBL21155611 0.78
SCHEMBL19821809 0.78 CA1 (0.43) CA1CA2MMESMN1; SMN2BIRC2
SCHEMBL13594571 0.78
SCHEMBL6743391 0.78
SCHEMBL7018019 0.78
Methyl 2-Methylbutanoate SCHEMBL1869834 0.77 CA1 (0.46) CA1CA2SMN1; SMN2HSD17B10BIRC2
Methyl 2-Methylbutanoate SCHEMBL108113 0.77

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
US-11773266-B2 Polymer, molded body, foam, resin composition, and production method for polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-03 US disclosed
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
US-20180030175-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-01 US disclosed