SCHEMBL4780362

SCHEMBL4780362

COc1cc(C)c(S(=O)(=O)C(C)CCOCC(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.40
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
BMP1 P13497 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
SCHEMBL4472824 0.81 KDM4E (0.40) BDKRB1POLBGAATSHRBMP1
SCHEMBL4778653 0.79 RAPGEF4 (0.36) BDKRB1BMP1
SCHEMBL4794418 0.78 RAPGEF4 (0.37) BDKRB1TSHRBMP1
SCHEMBL4477913 0.78 BDKRB1 (0.49) BDKRB1
SCHEMBL14304908 0.77 BDKRB1 (0.68) BDKRB1
SCHEMBL14304906 0.76 BDKRB1 (0.56) BDKRB1
SCHEMBL14311115 0.76 BDKRB1 (0.58) BDKRB1POLB
SCHEMBL10008677 0.75 FABP4 (0.48) BDKRB1POLBGAATSHR
SCHEMBL14304913 0.75 BDKRB1 (0.53) BDKRB1
SCHEMBL700853 0.74 BDKRB1 (0.62) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008002849-A2 ARYL SULFONES NEUROGEN CORPORATION (US) 2008-01-03 WO disclosed
WO-2008002849-A2 ARYL SULFONES NEUROGEN CORPORATION (US) 2008-01-03 WO disclosed