SCHEMBL28258115

SCHEMBL28258115

C=CC(=O)OS(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FGFR4 P22455 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
SCHEMBL8975780 0.97
SCHEMBL27660393 0.95 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
Naphthalene SCHEMBL27648057 0.81 CYP3A4 (0.42) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL27971984 0.80 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
Biphenyl SCHEMBL27622833 0.80 THRB (0.41) TSHRALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL2397256 0.78 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28098928 0.77 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27951964 0.77 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6095333 0.75 HCAR2 (0.38) TSHRCA2
SCHEMBL1425274 0.75 HCAR2 (0.38) TSHRCA2

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-109072133-A It is used to handle the purposes of fabric with the active polypeptide of DNA enzymatic 诺维信公司 2018-12-21 CN disclosed