SCHEMBL6002233

SCHEMBL6002233

O=C(O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.43
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
CNR2 P34972 9/20 0.35
CNR1 P21554 5/20 0.35
BRPF1 P55201 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MAPK9 P45984 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6002337 0.88 ECE1 (0.41) ECE1RORARORCRORBCNR2
SCHEMBL6002221 0.85 ECE1 (0.52) ECE1RORARORCRORBCNR2
SCHEMBL6002268 0.83 MAPK1 (0.38) ECE1MAPK1SMN1; SMN2EPHX2
SCHEMBL6002242 0.80 ECE1 (0.47) ECE1RORCCNR2CNR1MAPK1
SCHEMBL6002292 0.80 SERPINE1 (0.48) ECE1PPARG
SCHEMBL6002238 0.78 CACNA1B (0.40) ECE1BRPF1MAPK1SMN1; SMN2EPHX2
SCHEMBL6001817 0.77 MAPK1 (0.43) BRPF1MAPK1SMN1; SMN2HDAC1HDAC6
SCHEMBL6002334 0.72 SMN1; SMN2 (0.39) ECE1BRPF1MAPK1SMN1; SMN2EPHX2
SCHEMBL6001713 0.69 SERPINE1 (0.49) ECE1MAPK1SMN1; SMN2
SCHEMBL6001802 0.69 MAPK1 (0.43) ECE1BRPF1MAPK1SMN1; SMN2EPHX2

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
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed