SCHEMBL9464962

SCHEMBL9464962

O=C(OCC(O)COC(=O)c1ccc(I)cc1)c1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
ADRB2 P07550 17/20 0.51
ADRB1 P08588 17/20 0.51
ADRB3 P13945 17/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.45

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
SCHEMBL13296202 0.86 MEN1 (0.68) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL23601564 0.86 ADRB2 (0.45) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13296228 0.84 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPT
SCHEMBL3943866 0.83 ALDH1A1 (0.55) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL9463842 0.81 HPGD (0.53) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL9463799 0.81 ADRB2 (0.71) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL9464075 0.81 CYP1A2 (0.54) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL9463876 0.81 ADRB2 (0.73) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL295042 0.80 ALDH1A1 (0.78) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL4983780 0.80 ADRB2 (0.55) ALDH1A1ADRB2ADRB1ADRB3MAPT

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
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed