SCHEMBL27366281

SCHEMBL27366281

CCCCc1ccc(S([O])(=O)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
CA1 P00915 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CNR2 P34972 1/20 0.49
AKT1 P31749 1/20 0.48
FDFT1 P37268 1/20 0.46
RARB P10826 1/20 0.46
PLK1 P53350 1/20 0.46

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
SCHEMBL8350330 0.92 CA2 (0.68) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL330903 0.87 CA2 (0.67) CA2SMN1; SMN2FFAR4CA1LMNA
SCHEMBL10791903 0.85 CA2 (0.71) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL10179705 0.83 CA2 (0.69) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL7216900 0.83 CA2 (0.69) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL607623 0.82 CA2 (1.00) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL282318 0.82 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL269162 0.82 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL28503721 0.82 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4CA1
SCHEMBL7210396 0.82 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103269724-B The method of the amyloid beta part of the production marks of F 18 皮拉马影像股份公司 2017-06-23 CN disclosed
CN-103415304-B Method for producing F-18 labeled amyloid beta ligand Bayer Pharma AG (CH) 2016-01-20 CN disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN disclosed