SCHEMBL6301766

SCHEMBL6301766

O=S(=O)(c1ccc(OCCC2CO2)cc1)c1ccc(OCCC2CO2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.71
ALDH1A1 P00352 2/20 0.71
GAA P10253 2/20 0.71
LMNA P02545 1/20 0.71
HRH3 Q9Y5N1 6/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
KCNH2 Q12809 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6295567 0.94 LMNA (0.63) PKMALDH1A1GAALMNACA12
SCHEMBL11179281 0.86 TDP1 (0.50) PKMALDH1A1GAALMNATSHR
SCHEMBL313096 0.83 ALDH1A1 (1.00) PKMALDH1A1GAALMNATSHR
SCHEMBL6301551 0.83 ALDH1A1 (0.74) PKMALDH1A1GAALMNAHRH3
SCHEMBL2961458 0.80 TDP1 (0.46) PKMALDH1A1GAALMNATSHR
SCHEMBL2831235 0.80 TDP1 (0.46) PKMALDH1A1GAALMNAHRH3
SCHEMBL19058725 0.80 ALDH1A1 (0.80) PKMALDH1A1GAALMNATSHR
SCHEMBL22001897 0.79 ALDH1A1 (0.78) PKMALDH1A1GAALMNAHRH3
SCHEMBL4542132 0.78 PKM (0.58) PKMALDH1A1GAALMNACA12
SCHEMBL6297227 0.78 ALDH1A1 (0.76) PKMALDH1A1GAALMNACA12

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
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed
US-5091359-A Chromogen, color developer, and novolak type epoxy resin KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-02-25 US disclosed
EP-0382523-A2 Heat-sensitive record material NEW OJI PAPER CO., LTD. (JP) 1990-08-16 EP disclosed