SCHEMBL1863791

SCHEMBL1863791

CCOC(=O)c1ccc(S(=O)(=O)O)cc1C(=O)OCC.[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 5/20 0.50
KDM4E B2RXH2 4/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
S1PR3 Q99500 1/20 0.46
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL28948566 1.00 TSHR (0.55) TSHRLMNAKDM4ECA12CA1
Potassium SCHEMBL1861735 0.98 TSHR (0.53) TSHRLMNAKDM4ECA12CA1
SCHEMBL1861731 0.98 TSHR (0.53) TSHRLMNAKDM4ECA12CA1
SCHEMBL1863785 0.98 TSHR (0.53) TSHRLMNAKDM4ECA12CA1
Ammonia Solution, Strong SCHEMBL11519656 0.91 S1PR3 (0.51) TSHRLMNAKDM4ECA12CA1
SCHEMBL28497003 0.91 S1PR3 (0.51) TSHRLMNAKDM4ECA12CA1
SCHEMBL27967359 0.89 CA12 (0.66) TSHRLMNAKDM4ECA12CA1
SCHEMBL27816715 0.87 CA12 (0.64) TSHRLMNAKDM4ECA12CA1
SCHEMBL14031293 0.86 CYP4F2 (0.58) TSHRLMNAKDM4ECA12CA1
SCHEMBL1863789 0.85 TSHR (0.53) TSHRLMNAKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019166-B1 OLIGOMER REMOVER FOR POLYESTER FIBER MATERIAL NICCA CHEMICAL CO (JP) 2016-03-02 EP disclosed
US-8324338-B2 Oligomer removing agent for polyester-based fiber material NICCA CHEMICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20110107526-A1 OLIGOMER REMOVING AGENT FOR POLYESTER-BASED FIBER MATERIAL NICCA CHEMICAL CO., LTD. (JP) 2011-05-12 US disclosed
EP-2218820-A1 DYEABILITY IMPROVER FOR POLYESTER FIBER MATERIAL NICCA CHEMICAL CO., LTD. (JP) 2010-08-18 EP disclosed
US-20100064451-A1 DYEING QUALITY IMPROVER FOR POLYESTER-BASED FIBER MATERIALS NICCA CHEMICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20090036640-A1 Oligomer Removing Agent for Polyester-Based Fiber Material NICCA CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-2019166-A1 OLIGOMER REMOVER FOR POLYESTER FIBER MATERIAL NICCA CHEMICAL CO., LTD. (JP) 2009-01-28 EP disclosed