SCHEMBL19250005

SCHEMBL19250005

CC(C)c1cc(S(=O)(=O)O)cc(C(C)C)c1N=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ING2 Q9H160 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
CDK1 P06493 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5R1 Q15078 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC9A1 P19634 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
NT5E P21589 1/20 0.30

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
SCHEMBL10301256 0.78 FABP3 (0.48) FABP3FABP4FABP5LCKFYN
SCHEMBL15033889 0.78 CA1 (0.54) FABP3FABP4FABP5ING2LMNA
SCHEMBL18270585 0.75 CA1 (0.39) FABP3FABP4HTTLMNATSHR
SCHEMBL18408718 0.75 FABP3 (0.51) FABP3FABP4FABP5HTTLMNA
SCHEMBL5681406 0.74 LCK (0.39) LCKFYNING2HTTLMNA
SCHEMBL10301265 0.73 FABP3 (0.44) FABP3FABP4FABP5LCKFYN
SCHEMBL15613397 0.73 GABRA1 (0.52) FABP3FABP4FABP5ING2ALDH1A1
SCHEMBL17118300 0.73 FABP4 (0.48) FABP3FABP4FABP5HTTLMNA
SCHEMBL19050354 0.71 PRMT1 (0.41) LCKFYNING2HTTLMNA
SCHEMBL1578378 0.69 LCK (0.39) LCKFYNING2LMNATSHR

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-3081988-B1 NEGATIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-08-16 EP disclosed