SCHEMBL5052502

SCHEMBL5052502

C=CC(=O)OCCC(CCC)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.41
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL169554 0.91 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27428629 0.85 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28788191 0.79 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11327966 0.78 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5052638 0.78 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6231220 0.78 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5057290 0.77 TSHR (0.49) TSHRALDH1A1THRBHDAC1HDAC2
Sulfuric Acid SCHEMBL28312285 0.77 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10702026 0.77 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5050845 0.76 TSHR (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed