SCHEMBL4656183

SCHEMBL4656183

[CH]c1ccc(OCC2COC(C)(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ MAPK14 Q16539 10/20 0.43
▸ APP P05067 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL6267008 0.86 PKM (0.51) CA2MAPK14APPMAPTTP53
SCHEMBL898113 0.86 CA2 (0.45) CA2MAPK14APPMAPTTP53
SCHEMBL898114 0.86 CA2 (0.45) CA2MAPK14APPMAPTTP53
SCHEMBL13204672 0.86 PKM (0.51) CA2MAPK14APPMAPTTP53
SCHEMBL25158964 0.85 CA2 (0.42) CA2MAPK14APPMAPTTP53
SCHEMBL3828218 0.85 CA2 (0.44) CA2MAPK14APPMAPTTP53
SCHEMBL1587003 0.85 CA2 (0.44) CA2MAPK14APPMAPTTP53
SCHEMBL9774729 0.85 MAPK14 (0.53) CA2MAPK14APPMAPTTP53
SCHEMBL25159006 0.85 CA2 (0.44) CA2MAPK14APPMAPTTP53
SCHEMBL1076666 0.85 CA2 (0.48) CA2MAPK14APPMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994031-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES Bayer HealthCare AG (DE) 2008-11-26 — — EP disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 — — WO disclosed
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