SCHEMBL27428629

SCHEMBL27428629

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.51
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL5050845 0.90 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5057275 0.86 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5052502 0.85 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL169554 0.83 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6049057 0.81 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6049062 0.79 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6049061 0.79 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17201704 0.77 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL960535 0.75 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL607908 0.75 TSHR (0.62) 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-1085716-C Latex composition and its prep. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-29 CN disclosed
CN-1132776-A Latex composition and its prep. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-10-09 CN disclosed