SCHEMBL7259231

SCHEMBL7259231

COc1ccccc1C(O)C(O)c1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA14 Q9ULX7 1/20 0.60
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
ENPP2 Q13822 1/20 0.50
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
AGTR1 P30556 1/20 0.48
CYP1A2 P05177 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
ORAI1 Q96D31 1/20 0.48

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
SCHEMBL2046443 0.91 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL11604062 0.89 IDO1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL23084671 0.87 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL238441 0.87 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL22738008 0.87 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL7786253 0.87 ADRA2A (0.64) CA1CA2CA7CA9CA12
SCHEMBL5051465 0.87 ADRA2A (0.64) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL9869260 0.85 MEN1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL343860 0.85 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL14376164 0.85 CA1 (0.55) CA1CA2CA7CA9CA12

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-6642170-B1 Metals selected from tantalum, vanadium, niobium, chromium, molybdenum or tungsten on catalyst supports such as zeolites, oxides of silicon, aluminum, titanium, titanium, niobium or tantalum, used for etherification of alcohols-2+ CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2003-11-04 US claimed
US-6642170-B1 Metals selected from tantalum, vanadium, niobium, chromium, molybdenum or tungsten on catalyst supports such as zeolites, oxides of silicon, aluminum, titanium, titanium, niobium or tantalum, used for etherification of alcohols-2+ CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2003-11-04 US disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US disclosed