SCHEMBL9463533

SCHEMBL9463533

COCOC(COC(=O)c1ccc(I)cc1)COC(=O)c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 8/20 0.39
ADRB1 P08588 8/20 0.39
ADRB3 P13945 8/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ESR1 P03372 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ESR2 Q92731 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SERPINE1 P05121 1/20 0.36
SLC1A5 Q15758 1/20 0.36

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
SCHEMBL9463674 0.87 PTPN1 (0.40) MAPTPTPN1ALDH1A1ADRB2ADRB1
SCHEMBL9463750 0.86 ADRB2 (0.51) MAPTPTPN1ALDH1A1ADRB2ADRB1
SCHEMBL9463824 0.85 ADRB2 (0.52) MAPTPTPN1ALDH1A1ADRB2ADRB1
SCHEMBL9463830 0.85 GAA (0.46) MAPTPTPN1ALDH1A1ADRB2ADRB1
SCHEMBL9463913 0.85 PTPN1 (0.44) MAPTPTPN1ALDH1A1ADRB2ADRB1
SCHEMBL295552 0.84 ALDH1A1 (0.57) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9463664 0.83 PTPN1 (0.40) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL514607 0.82 CA1 (0.44) MAPTPTPN1ALDH1A1CA12CA1
SCHEMBL12482627 0.78 ALDH1A1 (0.53) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3943866 0.77 ALDH1A1 (0.55) MAPTALDH1A1ADRB2ADRB1ADRB3

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