SCHEMBL5583966

SCHEMBL5583966

Cc1ccccc1[I+]c1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
ESR1 P03372 1/20 0.39
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
SLC6A2 P23975 2/20 0.37
FAAH O00519 2/20 0.37
LMNA P02545 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2C P28335 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL29409822 1.00 TSHR (0.41) TSHRALDH1A1ALOX15GABRA1GABRB2
SCHEMBL10787813 0.89 GABRA1 (0.48) TSHRALDH1A1ALOX15GABRA1GABRB2
SCHEMBL3762885 0.84 ALDH1A1 (0.35) TSHRALDH1A1ALOX15GABRA1GABRB2
SCHEMBL31668371 0.84 ALDH1A1 (0.35) TSHRALDH1A1ALOX15GABRA1GABRB2
SCHEMBL146110 0.82 TSHR (0.53) TSHRALDH1A1ESR1LMNACA1
Iodide SCHEMBL10896124 0.79 TSHR (0.50) TSHRALDH1A1ESR1LMNACA1
Hydrochloric Acid SCHEMBL3843197 0.79 TSHR (0.50) TSHRALDH1A1ESR1LMNACA1
Fluoride Ion SCHEMBL9296021 0.79 TSHR (0.50) TSHRALDH1A1ESR1LMNACA1
SCHEMBL7899004 0.77 GABRA1 (0.41) TSHRALDH1A1ALOX15GABRA1GABRB2
SCHEMBL29973830 0.76 GABRA1 (0.38) TSHRALDH1A1ALOX15GABRA1GABRB2

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-20070092733-A1 Concurrently curable hybrid adhesive composition 3M INNOVATIVE PROPERTIES COMPANY 2007-04-26 US disclosed