SCHEMBL8911808

SCHEMBL8911808

Nc1cccc2ccccc12.Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.68
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
TSHR P16473 2/20 0.61
KEAP1 Q14145 1/20 0.61
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
GAA P10253 1/20 0.48
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
HTR6 P50406 2/20 0.47
CYP2C9 P11712 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47

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
Sulfuric Acid SCHEMBL29379869 0.87 ALDH1A1 (0.74) TTRALDH1A1CYP3A4HSD17B10HPGD
Sulfuric Acid SCHEMBL655500 0.87 ALDH1A1 (0.74) TTRALDH1A1CYP3A4HSD17B10HPGD
Sulfuric Acid SCHEMBL9839826 0.87 ALDH1A1 (0.74) TTRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL28045820 0.85 TTR (0.57) TTRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL2292820 0.84 GAA (0.65) TTRALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL90023 0.84 GAA (0.65) TTRALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL29358062 0.84 GAA (0.65) TTRALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL11407768 0.83 ALDH1A1 (0.68) TTRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL15193904 0.82 GAA (0.62) TTRALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL6392449 0.82 GAA (0.62) TTRALDH1A1CYP3A4HSD17B10TSHR

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-113575069-A Fertilizing method for rice panicle fertilizer and application thereof 中国水稻研究所 2021-11-02 CN disclosed
US-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed