SCHEMBL6364901

SCHEMBL6364901

CCCCCCCCCCCCOc1ccc(S(=O)(=O)c2ccccc2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA7 P43166 2/20 0.54
NR5A1 Q13285 1/20 0.53
TP53 P04637 1/20 0.48
LTA4H P09960 2/20 0.48
PLA2G4B P0C869 1/20 0.47
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTRC Q99895 1/20 0.46
FAAH O00519 5/20 0.45

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
SCHEMBL1794370 0.93 CA12 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL1793533 0.93 CA12 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL1791608 0.92 MMP2 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL9853410 0.90 CA12 (0.58) TSHRCA12CA1CA2CA9
SCHEMBL50959 0.90 MMP2 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL1793050 0.89 MMP2 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL10181500 0.87 MMP2 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL1794276 0.87 MMP2 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL930979 0.85 TSHR (0.51) TSHRCA12CA1CA2CA9
SCHEMBL930534 0.83 TSHR (0.53) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6929687-B2 Ink set for ink jet recording and ink jet recording method FUJI PHOTO FILM CO., LTD. (JP) 2005-08-16 US disclosed
US-20040123770-A1 Ink set for ink jet recording and ink jet recording method FUJI PHOTO FILM CO., LTD. 2004-07-01 US disclosed
US-6485926-B2 TO DIAGNOSE ACTIVITY OF CANCER CELLS, PROGRESS OF PERIODONTAL DISEASES, E.G. ALVEOLAR PYORRHEA, AND RHEUMATOID ARTHRITIS; DETECTING DIGESTION TRACES ON A THIN COLORED MEMBRANE CONTACTED WITH PROTEASE-CONTAINING TISSUE OR SERUM FUJI PHOTO FILM CO., LTD. (JP) 2002-11-26 US disclosed
US-20010039029-A1 Method for measuring protease activity FUJIFILM CORPORATION (JP) 2001-11-08 US disclosed