SCHEMBL9512243

SCHEMBL9512243

N#Cc1ccc(C=Cc2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
SNCA P37840 1/20 0.41
FBP1 P09467 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HDAC2 Q92769 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P4HB P07237 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 2/20 0.37
HTT P42858 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL9512238 1.00 PPARG (0.42) PPARGSNCAFBP1ALDH1A1LMNA
SCHEMBL16746567 0.89 CA2 (0.43) PPARGALDH1A1MAPTKDM4EGAA
SCHEMBL7718268 0.86 APP (0.42) PPARGALDH1A1LMNAMAPTL3MBTL1
SCHEMBL9915609 0.86 APP (0.42) PPARGALDH1A1LMNAMAPTL3MBTL1
SCHEMBL9915630 0.86 APP (0.42) PPARGALDH1A1LMNAMAPTL3MBTL1
SCHEMBL21594521 0.79 ALDH1A1 (0.53) FBP1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL21594513 0.79 ALDH1A1 (0.53) FBP1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL7466596 0.79 MAPT (0.45) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL2604913 0.79 RELA (0.52) PPARGALDH1A1MAPTL3MBTL1MAOB
SCHEMBL22244209 0.79 CYP3A4 (0.38) PPARGALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 US disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 EP disclosed