SCHEMBL881946

SCHEMBL881946

CC[C@H](C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.49
▸ GAA P10253 3/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 4/20 0.46
▸ G6PD P11413 2/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA3 P07451 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL12605150 1.00 GBA1 (0.49) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL23106681 0.84 CA2 (0.57) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL15948905 0.84 CA2 (0.57) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL2918280 0.82 ENPP2 (0.48) GAAMAPTCA2CA9CA12
SCHEMBL19201619 0.82 GBA1 (0.47) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL18772265 0.82 GBA1 (0.47) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL9072788 0.82 MAPT (0.40) GBA1GAAALDH1A1MAPTKDM4E
SCHEMBL1899031 0.82 TP53 (0.52) ALDH1A1MAPTHTTCA2CA1
SCHEMBL12674211 0.82 MMP2 (0.47) GAACA2CA9CA12CA1
SCHEMBL16852254 0.82 BCHE (0.46) GAAALDH1A1MAPTKDM4ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2891687-A1 DISPERSION COMPOSITION, AND CURABLE COMPOSITION, TRANSPARENT FILM, MICROLENS AND SOLID-STATE IMAGING ELEMENT USING SAME, AND POLYMER COMPOUND FUJIFILM Corporation (JP) 2015-07-08 — — EP disclosed
US-8552369-B2 Obtaining elemental concentration profile of sample INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-10-08 — — US disclosed
WO-2012040138-A2 NOVEL RADIOTRACER GE HEALTHCARE LIMITED (GB) 2012-03-29 — — WO disclosed
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