SCHEMBL28058778

SCHEMBL28058778

CCCCCc1cc(N)ccc1OCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.42
SNCA P37840 1/20 0.41
TLR8 Q9NR97 1/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
HTR2A P28223 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
APAF1 O14727 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL586998 0.86 HTT (0.53) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL11359239 0.83 PTGDR2 (0.52) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL27859116 0.79 THRA (0.42) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL15650282 0.79 PTGDR2 (0.51) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL8908642 0.77 PPARG (0.47) TSHRLMNATHRBTHRAHTR2A
SCHEMBL7902120 0.75 KMT2A (0.48) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL656861 0.75 SNCA (0.54) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL15933189 0.75 KDM4E (0.51) ALDH1A1KMT2AMEN1MAPK1SNCA
SCHEMBL28744678 0.75 GAA (0.43) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL31457256 0.75 HTR2A (0.46) TSHRALDH1A1HTR2ASMN1; SMN2

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
CN-105439914-A 4-aminoacylphenoxyacetamide compound and medicine uses thereof UNIV FUDAN 2016-03-30 CN disclosed
CN-105439914-A 4-aminoacylphenoxyacetamide compound and medicine uses thereof UNIV FUDAN 2016-03-30 CN disclosed