SCHEMBL7815046

SCHEMBL7815046

Cc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
MAPT P10636 6/20 0.70
MEN1 O00255 5/20 0.70
LMNA P02545 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
ALDH1A1 P00352 9/20 0.68
KDM4E B2RXH2 9/20 0.68
HPGD P15428 5/20 0.68
GAA P10253 4/20 0.68
HSD17B10 Q99714 4/20 0.67
GSK3A P49840 4/20 0.67
GSK3B P49841 4/20 0.67
USP2 O75604 1/20 0.64
ALOX15 P16050 1/20 0.64
FPR1 P21462 1/20 0.64
TSHR P16473 2/20 0.59
ACHE P22303 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
GLA P06280 2/20 0.56

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
SCHEMBL8227915 0.86 FHIT (0.71) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL7817352 0.86 MAPT (0.71) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL7814453 0.86 KMT2A (0.71) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL7814667 0.86 MAPT (0.73) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL8188107 0.84 ALDH1A1 (0.56) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL8187773 0.83 GSK3A (0.67) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL7814828 0.82 GSK3B (0.69) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL8186251 0.82 CCNA2 (0.61) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL16459466 0.81 GSK3A (0.69) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL16479145 0.81 GSK3B (1.00) KMT2AMAPTLMNAALDH1A1KDM4E

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-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