SCHEMBL28557476

SCHEMBL28557476

C=CCc1c(C)cccc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
MAPT P10636 1/20 0.36
TTR P02766 1/20 0.35
CYP1A2 P05177 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
SUMO2 P61956 2/20 0.32
SUMO1 P63165 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP2 Q9HC62 2/20 0.32
SENP3 Q9H4L4 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
CNR2 P34972 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL367941 0.81 GABRA1 (0.44) MAPTTTRGABRA1GABRB2ALDH1A1
SCHEMBL1806021 0.81 MYC (0.40) MYCTTRCYP1A2RAPGEF4ALDH1A1
SCHEMBL2059599 0.80 TTR (0.35) MYCTTRCYP1A2GABRA1GABRB2
SCHEMBL8954297 0.80 TTR (0.35) MYCTTRCYP1A2GABRA1GABRB2
SCHEMBL7052331 0.80 TTR (0.50) TTRCYP1A2GABRA1GABRB2ALDH1A1
Magnesium SCHEMBL2052962 0.80 GABRA1 (0.43) MAPTTTRGABRA1GABRB2ALDH1A1
SCHEMBL3181737 0.80 KAT6A (0.35) TTRCYP1A2GABRA1GABRB2ALDH1A1
SCHEMBL1734598 0.80 MEN1 (0.35) MYCMAPTALDH1A1GAAKDM4E
SCHEMBL7107164 0.80 GABRA1 (0.43) MAPTTTRGABRA1GABRB2ALDH1A1
SCHEMBL1806151 0.79 MYC (0.41) MYCTTRCYP1A2RAPGEF4ALDH1A1

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-107406807-B Process for preparing a mixture of enantiomers and mixture of enantiomers 巴斯夫欧洲公司 2021-03-23 CN disclosed