SCHEMBL11318656

SCHEMBL11318656

[O-][Br+2]([O-])O[As](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
TSHR P16473 2/20 0.35
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
CA4 P22748 2/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL7047222 0.67
Phenol SCHEMBL8215362 0.57 CA12 (0.69) LTA4HNR1H2BAXCA4CA1
SCHEMBL11575723 0.57 ALDH1A1 (0.41) LTA4HTSHRCA4CA1CA2
SCHEMBL29612198 0.55
SCHEMBL3787360 0.55 TSHR (0.39) LTA4HTSHRCA4CA1CA2
SCHEMBL11575225 0.55 ALDH1A1 (0.39) LTA4HTSHRCA4CA1CA2
SCHEMBL2958061 0.55 CA1 (0.39) LTA4HTSHRCA4CA1CA2
Phenol SCHEMBL547014 0.53 CA2 (0.73) LTA4HTSHRNR1H2BAXCA4
Diphenylether SCHEMBL9061108 0.53 LTA4H (1.00) LTA4HTSHRNR1H2BAXCA4
Hydrochloric Acid SCHEMBL9651882 0.53 CA1 (0.44) LTA4HTSHRCA4CA1CA2

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-4247620-A TETRAARYL PHOSPHONIUM, AMMONIUM OR ARSONIUM METAL POLYCARBOXYLATES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-01-27 US disclosed