SCHEMBL28838342

SCHEMBL28838342

C=CC(=O)ONC(=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.45
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
THRB P10828 4/20 0.40
CASP2 P42575 1/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL28220847 0.83 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL2707512 0.80 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14798439 0.80 PHF8 (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6152662 0.78 TSHR (0.36) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28817744 0.77 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL9531506 0.74 CTSD (0.39) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL27810477 0.74 CTSD (0.52) CTSDTSHRHDAC3HDAC1HDAC2
SCHEMBL13479776 0.74 CTSD (0.52) CTSDTSHRHDAC3HDAC1HDAC2
SCHEMBL28327602 0.73
SCHEMBL3768713 0.73 TSHR (0.48) TSHRHPGDTHRBALDH1A1TP53

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-109791353-B Photosensitive resin composition and photosensitive resin printing plate precursor comprising same 东丽株式会社 2022-07-12 CN disclosed