SCHEMBL9243154

SCHEMBL9243154

Br[Zr](Br)(Br)OCc1ccccc1.Br[Zr](Br)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
ALDH1A1 P00352 4/20 0.37
TRPA1 O75762 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAOB P27338 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35

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
SCHEMBL7589313 0.93 TSHR (0.52) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL7592964 0.93 TSHR (0.52) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL7597762 0.79 TSHR (0.52) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL1361708 0.74 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7591592 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7595166 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7592608 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL727757 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL7596680 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7595481 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1

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-5451555-A Catalyst components for polymerization of olefins NIPPON OIL CO., LTD. (JP) 1995-09-19 US disclosed