SCHEMBL10080004

SCHEMBL10080004

CC(C)c1ccc(BO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP2C9 P11712 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ USP5 P45974 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRIN2D O15399 1/20 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
SCHEMBL19734121 0.78 TYR (0.44) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL461155 0.76 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL20915049 0.76 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL182135 0.76 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
SCHEMBL104124 0.76 TYR (0.58) TYRHTTCYP2C9HIF1ACYP2D6
SCHEMBL10204556 0.76 TYR (0.42) TYRHTTCYP2C9HIF1ACYP2D6
Hydrogen Peroxide SCHEMBL20534035 0.74 TYR (0.52) TYRHTTCYP2C9HIF1ACYP2D6
Ammonia Solution, Strong SCHEMBL7550588 0.73 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Water SCHEMBL11726962 0.73 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6
Water SCHEMBL29278796 0.73 TYR (0.55) TYRHTTCYP2C9HIF1ACYP2D6

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
EP-2465912-A1 Phosphorescent Materials Universal Display Corporation (US) 2012-06-20 — — EP disclosed
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