SCHEMBL16314644

SCHEMBL16314644

OCCN(CCO)CC(O)COc1ccc(C(C2=CCC(OCC(O)CN(CCO)CCO)C=C2)c2ccc(OCC(O)CN(CCO)CCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 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
SCHEMBL12403146 0.78 GAA (0.64) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL31414645 0.68 ALDH1A1 (0.67) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL31414644 0.68 ALDH1A1 (0.67) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL24245304 0.67 TDP1 (0.42) GAAALDH1A1LMNAMAPTTDP1
SCHEMBL11672344 0.66 MAPK1 (0.69) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL759782 0.65 ALDH1A1 (0.67) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL9636165 0.65 ALDH1A1 (0.62) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL14345644 0.65 GAA (0.50) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL6018530 0.64 MAPK1 (0.55) GAANCOA3ALDH1A1LMNAMAPK1
SCHEMBL12403297 0.62 MAPK1 (0.52) GAANCOA3ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325236-A1 Dendritic polymers with enhanced amplification and interior functionality Dendritic Nanotechnologies Inc. (US) 2011-05-25 — — EP disclosed
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