SCHEMBL5157644

SCHEMBL5157644

CS(=O)(=O)OCC(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.45
ADRB1 P08588 9/20 0.45
ADRB2 P07550 8/20 0.45
SLC2A1 P11166 2/20 0.41
IDO1 P14902 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2544966 1.00 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL2541814 1.00 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL15842311 0.84 PGR (0.42) ADRB3ADRB1ADRB2
SCHEMBL28988716 0.82 GBA1 (0.40) ADRB3ADRB1ADRB2
SCHEMBL2536163 0.81 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL768346 0.81 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL767895 0.81 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL5157831 0.81 AOC3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL5157835 0.81 AOC3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL2541787 0.81 AOC3 (0.45) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed
EP-0825189-B1 1,4-BENZODIOXIN DERIVATIVES NISSHIN PHARMA INC (JP) 2002-01-02 EP disclosed
US-6130243-A PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-10-10 US disclosed