SCHEMBL28419110

SCHEMBL28419110

O=S(=O)(O)c1ccc(CO)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
CYP1A2 P05177 3/20 0.45
CTRB1 P17538 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
COMT P21964 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
LDHA P00338 1/20 0.41
MPL P40238 4/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SUMO2 P61956 2/20 0.37
SUMO1 P63165 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP2 Q9HC62 2/20 0.37

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
SCHEMBL28417712 0.88 TTR (0.58) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL7791002 0.86 TTR (0.47) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL29409575 0.85 TTR (0.61) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL703189 0.85 TTR (0.61) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL17212138 0.85 TTR (0.46) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL2662859 0.85 TTR (0.46) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL7020849 0.85 TTR (0.46) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL7710380 0.83 TTR (0.59) TTRCYP1A2CTRB1TNNI3TNNT2
Hydrochloric Acid SCHEMBL11157253 0.83 TTR (0.59) TTRCYP1A2CTRB1TNNI3TNNT2
SCHEMBL14399777 0.82 TTR (0.43) TTRCYP1A2CTRB1COMTAURKA

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-109970920-B Sulfonic acid modified polycarboxylic acid water reducing agent and preparation method thereof 科之杰新材料集团有限公司 2020-07-03 CN claimed
CN-109970920-B Sulfonic acid modified polycarboxylic acid water reducing agent and preparation method thereof 科之杰新材料集团有限公司 2020-07-03 CN disclosed