SCHEMBL28211115

SCHEMBL28211115

C=C(C)C(=O)OCCS(=O)(=O)O.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
GAA P10253 3/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
HTT P42858 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
GLA P06280 1/20 0.36
NFE2L2 Q16236 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLIN1 O60240 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Vinylsulfonic Acid SCHEMBL28072676 0.96 PPARG (0.37) PPARGGAAAKR1B10AKR1B1HTT
SCHEMBL4968472 0.89 PPARG (0.39) PPARGGAAAKR1B10AKR1B1HTT
SCHEMBL15901615 0.86 TDP1 (0.41) PPARGGAAAKR1B10AKR1B1HTT
Styrene SCHEMBL9010621 0.86 TDP1 (0.39) GAAHTTTDP1POLBAPEX1
SCHEMBL28322996 0.85 THRB (0.55) PPARGGAAAKR1B10AKR1B1HTT
SCHEMBL10416596 0.85 ALDH1A1 (0.44) PPARGGAAAKR1B10AKR1B1ALDH1A1
SCHEMBL9300843 0.82 THRB (0.47) PPARGGAAAKR1B10AKR1B1NFE2L2
SCHEMBL15901721 0.82 HTT (0.38) PPARGGAAAKR1B10AKR1B1HTT
SCHEMBL28298872 0.81 PPARG (0.45) PPARGGAAHTTTDP1POLB
Styrene SCHEMBL7037322 0.80 TSHR (0.46) HTTTDP1POLBAPEX1LMNA

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-107922561-A URETHANE RESIN PARTICLES 关西涂料株式会社 2018-04-17 CN disclosed