SCHEMBL8508167

SCHEMBL8508167

CCO/C(C)=N/OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
NR2F2 P24468 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45

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
SCHEMBL8508170 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNATSHRNPC1
SCHEMBL9798967 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL28801777 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNATSHRNPC1
SCHEMBL7547276 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL7589770 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL7543946 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL2618100 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL9798508 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL7549194 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1
SCHEMBL7543605 0.76 HDAC8 (0.59) ALDH1A1SMN1; SMN2LMNATSHRMAPK1

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
US-5880270-A USED IN IMMUNODIAGNOSTIC AND SEPARATION TECHNIQUES CELLPRO, INCORPORATED (US) 1999-03-09 US disclosed
WO-1996040662-A2 AMINOOXY-CONTAINING LINKER COMPOUNDS AND THEIR APPLICATION IN CONJUGATES CELLPRO, INCORPORATED (US) 1996-12-19 WO disclosed