SCHEMBL28051429

SCHEMBL28051429

C=CC(=O)OC(C)CCOC(=O)CCP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28405006 0.92 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL27756447 0.91 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL28018200 0.82 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19845012 0.81 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27531933 0.79 ALDH1A1 (0.46) TSHRHPGDALDH1A1CYP3A4TDP1
SCHEMBL13753930 0.79 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL262349 0.78 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28616204 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28619388 0.77 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2464920 0.77 TSHR (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111093594-A Curable composition for dental use 株式会社德山齿科 2020-05-01 CN disclosed
CN-103068411-B Emophysematous therapeutic agent TERUMO CORP. (JP) 2016-01-20 CN disclosed