SCHEMBL28862575

SCHEMBL28862575

CC(C)COC(=O)CC(=O)OCC(C)C.CCC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 3/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL28235998 0.91 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL243431 0.89 TSHR (0.56) TSHRGAAMGAMSIMGAM2
SCHEMBL28236012 0.88 TSHR (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL5859548 0.86 MGAM (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL9239313 0.86 MGAM (0.50) TSHRGAAMGAMSIMGAM2
Butane SCHEMBL888582 0.86 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL6740870 0.84 GAA (0.68) TSHRGAAMGAMSIMGAM2
SCHEMBL27964667 0.84 TSHR (0.52) TSHRGAAMGAMSIMGAM2
SCHEMBL28236036 0.84 TSHR (0.52) TSHRGAAMGAMSIMGAM2
SCHEMBL28236014 0.83 TSHR (0.44) TSHRGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 CN disclosed