SCHEMBL7817352

SCHEMBL7817352

CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
KMT2A Q03164 7/20 0.71
TDP1 Q9NUW8 4/20 0.71
LMNA P02545 3/20 0.71
ALDH1A1 P00352 8/20 0.70
KDM4E B2RXH2 8/20 0.70
MEN1 O00255 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 4/20 0.54
GLA P06280 3/20 0.54
HTT P42858 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
FHIT P49789 1/20 0.54
HPGD P15428 5/20 0.53
HSD17B10 Q99714 4/20 0.52
GSK3A P49840 3/20 0.52
GSK3B P49841 3/20 0.52
CYP1A2 P05177 1/20 0.50

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
SCHEMBL7815046 0.86 KMT2A (0.70) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL7814453 0.85 KMT2A (0.71) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL8227915 0.85 FHIT (0.71) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL7814667 0.84 MAPT (0.73) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL15057001 0.84 ALDH1A1 (0.57) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL7820470 0.83 ALDH1A1 (0.69) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL8187773 0.82 GSK3A (0.67) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL8186251 0.81 CCNA2 (0.61) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL10046483 0.81 KMT2A (0.76) MAPTKMT2ATDP1LMNAALDH1A1
SCHEMBL8188107 0.79 ALDH1A1 (0.56) MAPTKMT2ATDP1LMNAALDH1A1

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