SCHEMBL10696526

SCHEMBL10696526

[CH2]C1=COc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
AHR P35869 4/20 0.36
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ALOX5 P09917 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL7198393 0.70 AHR (0.43) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL10637475 0.70 MTNR1A (0.40) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL17577921 0.70 MTNR1A (0.40) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL6437548 0.70 AHR (0.46) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL4976768 0.70 MTNR1A (0.36) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL23633181 0.68 MTNR1A (0.35) MTNR1AAHRMAOAMAOBALOX5
SCHEMBL6483538 0.68 MTNR1A (0.39) MTNR1AAHRMAOAMAOBALOX5
Ethylene SCHEMBL28076033 0.68
SCHEMBL3102452 0.67 MAOA (0.56) AHRMAOAMAOBALOX5ABCG2
SCHEMBL8668546 0.67 MAOA (0.56) AHRMAOAMAOBALOX5ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284752-A1 Oxime ethers of 2,6-dioxabicyclo[3.3.0]octanones Heinrich Mack Nachf. (DE) 1988-10-05 EP claimed
EP-0284752-A1 Oxime ethers of 2,6-dioxabicyclo[3.3.0]octanones Heinrich Mack Nachf. (DE) 1988-10-05 EP disclosed
EP-0106860-A1 NEW CARBOXAMIDOGUANIDINS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. BOUCHARA EMILE (FR) 1984-05-02 EP disclosed
WO-1983003829-A1 NEW CARBOXAMIDOGUANIDINS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOUCHARA, EMILE (FR) 1983-11-10 WO disclosed