SCHEMBL7814828

SCHEMBL7814828

Cc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.69
GSK3A P49840 6/20 0.69
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 2/20 0.54
CSNK1D P48730 1/20 0.52
GLA P06280 1/20 0.50
NOTCH1 P46531 1/20 0.49

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
SCHEMBL8191764 0.86 CA12 (0.56) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL2746217 0.86 L3MBTL1 (0.69) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL7820470 0.85 ALDH1A1 (0.69) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL7814667 0.84 MAPT (0.73) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL8187313 0.84 MAPT (0.59) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL8178656 0.83 ALDH1A1 (0.59) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL16460005 0.83 GSK3B (1.00) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL7815046 0.82 KMT2A (0.70) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL8188107 0.82 ALDH1A1 (0.56) GSK3BGSK3AALDH1A1KDM4EHPGD
SCHEMBL7817217 0.82 CA1 (0.60) GSK3BGSK3AALDH1A1KDM4EHPGD

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
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US claimed
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed