SCHEMBL8024385

SCHEMBL8024385

Cc1cc(N(CCO)CCO)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 2/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP14 P50281 1/20 0.46
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 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
SCHEMBL2945669 0.92 ALDH1A1 (0.50) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL10119054 0.90 ALDH1A1 (0.41) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2324164 0.89 ALDH1A1 (0.43) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL24991896 0.85 CYBB (0.39) MAPTL3MBTL1NPC1RAB9AHTT
SCHEMBL11696664 0.85 ALDH1A1 (0.47) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL10333910 0.83 ALDH1A1 (0.49) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11692994 0.82 ALDH1A1 (0.45) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11340079 0.81 ALDH1A1 (0.39) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2845181 0.81 ALDH1A1 (0.63) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL10936725 0.80 ALDH1A1 (0.47) MAPTKMT2AMEN1L3MBTL1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
US-6037309-A DYE DIFFUSION THERMAL TRANSFER PRINTING DYE SHEET COMPRISING A SUBSTRATE HAVING A COATING CONTAINING A DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2000-03-14 US disclosed
EP-0823880-B1 DYE DIFFUSION THERMAL TRANSFER PRINTING ICI PLC (GB) 1999-08-25 EP disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
EP-0823880-A1 DYE DIFFUSION THERMAL TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed
WO-1996034766-A1 DYE DIFFUSION THERMAL TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-07 WO disclosed