SCHEMBL7899004

SCHEMBL7899004

CC(C)c1ccccc1[I+]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 2/20 0.38
GABRB1 P18505 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL10787813 0.86 GABRA1 (0.48) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL29973830 0.86 GABRA1 (0.38) GABRA1GABRB2TSHRGABRG2GABRB3
Benzene SCHEMBL3121322 0.78 GABRA1 (0.60) GABRA1GABRB2TSHRGABRG2GABRB3
Benzene SCHEMBL28101242 0.78 GABRA1 (0.60) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL5583966 0.77 TSHR (0.41) GABRA1GABRB2TSHRGABRG2GABRB3
SCHEMBL29409822 0.77 TSHR (0.41) GABRA1GABRB2TSHRGABRG2GABRB3
Hydrogen Peroxide SCHEMBL30120583 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3
Hydrogen Peroxide SCHEMBL35519 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3
Hydrogen Peroxide SCHEMBL20593356 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3
Hydrogen Peroxide SCHEMBL29394264 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRGABRG2GABRB3

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-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed