SCHEMBL16627144

SCHEMBL16627144

C=C/C(=C\C)C(=O)c1cc(OC)ccc1NC(=O)CCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL1185533 0.82 MAPT (0.51) MAPTHPGDNPSR1LMNAALDH1A1
SCHEMBL16624687 0.78 ALDH1A1 (0.55) MAPTHPGDLMNAALDH1A1HTT
SCHEMBL14930228 0.75 KMT2A (0.55) MAPTHPGDNPSR1LMNAALDH1A1
SCHEMBL28329030 0.72 ALDH1A1 (0.58) MAPTHPGDALDH1A1HTTPOLB
SCHEMBL17183180 0.70 MAPT (0.48) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL16624696 0.70 TP53 (0.54) MAPTLMNATSHRMEN1POLB
SCHEMBL16046762 0.69 MTNR1B (0.66) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL1185546 0.69 MEN1 (0.53) MAPTHPGDLMNAALDH1A1HTT
SCHEMBL31146171 0.69 POLB (0.53) MAPTHPGDLMNAALDH1A1POLB
SCHEMBL1186093 0.69 MAPT (0.51) MAPTHPGDLMNAALDH1A1TSHR

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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed