SCHEMBL4620050

SCHEMBL4620050

CCC(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.c1ccc2c(c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
HIF1A Q16665 1/20 0.44
GSK3B P49841 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.42
ESR1 P03372 1/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL966444 0.92 GSK3B (0.51) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL27877917 0.90 GSK3B (0.50) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL15548441 0.84 SMN1; SMN2 (0.48) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL23581994 0.82 GSK3B (0.49) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL13005154 0.81 MAPT (0.61) MAPTGSK3BSMN1; SMN2ALDH1A1RAB9A
SCHEMBL755565 0.77 MAPT (0.48) MAPTGSK3BSMN1; SMN2ALDH1A1MAOB
SCHEMBL537643 0.76 ALDH1A1 (0.49) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL28497459 0.76 MAPT (0.46) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL18905162 0.76 CNR1 (0.44) MAPTHIF1AGSK3BSMN1; SMN2ALDH1A1
SCHEMBL6441956 0.76 HIF1A (0.46) MAPTHIF1AGSK3BSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102127332-B Ink composite Xerox Corp. (US) Patent Dept. 020 Xerox Square 100 Clinton Avenue Rochester New (US) 2015-08-19 CN disclosed
CN-102127332-A Ink compositions XEROX CORP 2011-07-20 CN disclosed
EP-1899426-A2 COATING COMPOSITIONS SUITABLE FOR USE AS A WOOD STAIN AND/OR TONER PPG Industries Ohio, Inc. (US) 2008-03-19 EP disclosed
WO-2006107682-A2 COATING COMPOSITIONS SUITABLE FOR USE AS A WOOD STAIN AND/OR TONER PPG INDUSTRIES OHIO, INC. (US) 2006-10-12 WO disclosed