SCHEMBL5657596

SCHEMBL5657596

COc1ccc(OC)c(C(=O)NCCCCCCCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
NAMPT P43490 2/20 0.62
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
EGLN2 Q96KS0 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL13593371 0.90 NAMPT (0.62) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13962657 0.88 POLB (0.67) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14289184 0.87 POLB (0.55) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2158647 0.87 NAAA (0.56) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5656258 0.86 POLB (0.64) POLBMAPK1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL3292695 0.85 POLB (0.62) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL543326 0.85 POLB (0.55) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL29886403 0.85 POLB (0.55) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2677706 0.84 TP53 (0.61) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3291433 0.84 POLB (0.61) POLBNAMPTMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015008-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2006-08-09 EP claimed
EP-1015008-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2000-07-05 EP claimed
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 WO claimed
WO-1998034632-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-08-13 WO claimed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed