SCHEMBL9519277

SCHEMBL9519277

C=CCc1cccc(OC(=O)O)c1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ELANE P08246 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 3/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 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
SCHEMBL16667598 0.82 HRH1 (0.42) KDM4EMAPTGABRA1GABRB2ELANE
SCHEMBL861238 0.80 KDM4E (0.51) KDM4EGABRA1GABRB2ELANEALDH1A1
SCHEMBL10454511 0.79 GABRA1 (0.54) KDM4EMAPTGABRA1GABRB2ELANE
SCHEMBL5179050 0.79 GABRA1 (0.42) KDM4EMAPTGABRA1GABRB2ELANE
SCHEMBL27515375 0.78 ALOX15 (0.42) KDM4EMAPTGABRA1GABRB2SMN1; SMN2
SCHEMBL14775061 0.78 KDM4E (0.42) KDM4EMAPTGABRA1GABRB2ELANE
SCHEMBL5184511 0.77 GABRA1 (0.46) KDM4EMAPTGABRA1GABRB2ELANE
Cyclohexane SCHEMBL7154706 0.76 KDM4E (0.48) KDM4EMAPTELANEALDH1A1KMT2A
SCHEMBL18762956 0.75 GABRA1 (0.39) KDM4EMAPTGABRA1GABRB2SMN1; SMN2
SCHEMBL370628 0.75 GABRA1 (0.49) KDM4EMAPTGABRA1GABRB2ELANE

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
EP-0414655-B1 Improved process for the production of carbonate esters MONSANTO CO (US) 1993-10-20 EP disclosed