SCHEMBL28544730

SCHEMBL28544730

C=CC(=O)NCc1ccccc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.44
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.35
MYC P01106 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL395456 0.86 CA2 (0.44) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL3250189 0.84 TGM2 (0.41) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL59858 0.83 TGM2 (0.55) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL393748 0.81 GAA (0.40) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL28643615 0.81 TGM2 (0.49) TGM2GAA
SCHEMBL397222 0.81 TGM2 (0.44) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL397606 0.81 CA12 (0.42) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL7751009 0.80 OPRM1 (0.40) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL3283844 0.80 TGM2 (0.38) TGM2KMT2AGAAALDH1A1CYP2C19
SCHEMBL396995 0.80 GAA (0.44) TGM2KMT2AGAAALDH1A1CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262989-A1 CONFIGURABLE HYDROGEL MATERIAL AND METHOD FOR CONFIGURING HYDROGEL MATERIALS FOR SEQUESTERING AND/OR RELEASING BIOACTIVE SUBSTANCES LEIBNIZ-INSTITUT FÜR POLYMERFORSCHUNG DRESDEN E.V. (DE) 2024-08-08 US disclosed
US-20230348300-A1 WATER TREATMENT AGENT KAO CORPORATION (JP) 2023-11-02 US disclosed
EP-4259715-A1 CONFIGURABLE HYDROGEL MATERIAL AND METHOD FOR CONFIGURING HYDROGEL MATERIALS FOR SEQUESTRATION AND/OR RELEASE OF BIOACTIVE SUBSTANCES Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2023-10-18 EP disclosed
EP-4249098-A1 WATER TREATMENT AGENT Kao Corporation (JP) 2023-09-27 EP disclosed
WO-2022111756-A9 CONFIGURABLE HYDROGEL MATERIAL AND METHOD FOR CONFIGURING HYDROGEL MATERIALS FOR SEQUESTRATION AND/OR RELEASE OF BIOACTIVE SUBSTANCES Leibniz-Institut für Polymerforschung Dresden e. V. (DE) 2023-05-25 WO disclosed
WO-2022111756-A1 CONFIGURABLE HYDROGEL MATERIAL AND METHOD FOR CONFIGURING HYDROGEL MATERIALS FOR SEQUESTRATION AND/OR RELEASE OF BIOACTIVE SUBSTANCES Leibniz-Institut für Polymerforschung Dresden e. V. (DE) 2022-06-02 WO disclosed
WO-2022107653-A1 WATER TREATMENT AGENT 花王株式会社 2022-05-27 WO disclosed
CN-109153749-B Polymer, method for producing polymer, and polymeric flocculant 三菱化学株式会社 2021-03-09 CN disclosed