Indole

Indole

SCHEMBL27639366

C=CC(=O)O.[Zn].c1ccc2[nH]ccc2c1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
ITGB2 P05107 1/20 0.61
ICAM1 P05362 1/20 0.61
ITGAL P20701 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
AHR P35869 1/20 0.61
ADK P55263 1/20 0.61
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ENPP2 Q13822 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42

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
Indole SCHEMBL224834 0.98 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29966814 0.98 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29127707 0.87 TRPA1 (0.63) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL7593945 0.86 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL7634666 0.85 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29504142 0.85 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL7634660 0.85 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL4752595 0.85 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL27448469 0.85 TRPA1 (0.65) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28479409 0.85 TRPA1 (0.77) TRPA1CA1CA2ITGB2ICAM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1709921-B Resin of zinc acrylate or copper acrylate containing indole function group, its preparation and use OCEAN UNIV CHINA 2011-09-28 CN claimed
CN-1709921-B Resin of zinc acrylate or copper acrylate containing indole function group, its preparation and use OCEAN UNIV CHINA 2011-09-28 CN disclosed
CN-1709921-A Resin of zinc acrylate or copper acrylate containing indole function group, its preparation and use CHINESE OCEANOGRAPHY UNIV (CN) 2005-12-21 CN disclosed