SCHEMBL5953869

SCHEMBL5953869

CCOC(=O)CN(CC)c1ccc(C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
ALDH1A3 P47895 2/20 0.62
ALDH3A1 P30838 1/20 0.62
KDM4E B2RXH2 6/20 0.44
GAA P10253 3/20 0.44
CYP2A6 P11509 1/20 0.43
CYP2A13 Q16696 1/20 0.43
PPARG P37231 1/20 0.43
MAPT P10636 8/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
GFER P55789 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 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
SCHEMBL17845859 0.95 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL28300064 0.87 MAPT (0.48) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL20813057 0.84 MAPT (0.47) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL6486619 0.83 SMN1; SMN2 (0.54) ALDH1A1GAAPPARGGLACTDSP1
SCHEMBL8501459 0.82 ALDH1A1 (0.51) ALDH1A1ALDH1A3ALDH3A1KDM4ECYP2A6
SCHEMBL29279286 0.81 ALDH1A1 (0.69) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL19778187 0.80 NPC1 (0.51) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL19778054 0.80 KMT2A (0.50) ALDH1A1GAAPPARGMAPTHPGD
SCHEMBL7845711 0.79 MAPT (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL17487928 0.79 MAPT (0.49) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA

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-7087358-B2 Image-formation material and infrared absorber FUJI PHOTO FILM CO., LTD. (JP) 2006-08-08 US disclosed
US-20040175649-A1 Image-formation material and infrared absorber FUJI PHOTO FILM CO., LTD. 2004-09-09 US disclosed