SCHEMBL27474256

SCHEMBL27474256

C=CC(=O)ON(CC(C)=O)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.31

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
SCHEMBL2775308 0.77 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9822402 0.74 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1257020 0.73 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28457262 0.71 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL941853 0.70 ALDH1A1 (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL310857 0.70 ALDH1A1 (0.41) TSHRALDH1A1TP53
SCHEMBL21412821 0.69 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL263812 0.69
SCHEMBL1401231 0.68
SCHEMBL3284080 0.68 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-1140576-C Crosslinkable surface coatings and method of preparation Լ��ѷ��ҵó�׹�˾ 2004-03-03 CN disclosed
CN-1264403-A Cross-linkable surface coatings and process of preparation JOHNSON S C COMM MARKETS INC (US) 2000-08-23 CN disclosed