SCHEMBL8991056

SCHEMBL8991056

COc1ccccc1OC(Cl)(Cl)Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA14 Q9ULX7 1/20 0.62
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
ENPP2 Q13822 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 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
SCHEMBL9367374 0.87 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL2737143 0.83 CA1 (0.65) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL625622 0.76 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL7192709 0.76 TSHR (0.43) CA1CA2CA7CA9CA12
SCHEMBL29435933 0.76 CA1 (0.62) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL9793057 0.76 CA1 (0.93) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29229370 0.76 CA1 (0.93) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5481815-A APPARATUS FOR TREATING SEDIMENT IN A WATER BODY HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF THE ENVIRONMENT (CA) 1996-01-09 US disclosed