SCHEMBL7817859

SCHEMBL7817859

Cc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 5/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
FFAR3 O14843 1/20 0.57
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPR174 Q9BXC1 8/20 0.53
ABCC9 O60706 2/20 0.53
ABCC8 Q09428 2/20 0.53
KCNJ11 Q14654 2/20 0.53
KCNJ8 Q15842 2/20 0.53
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7820326 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10CASP1CASP7
SCHEMBL7817092 0.84 GPR174 (0.70) KDM4EGPR174ABCC9ABCC8KCNJ11
SCHEMBL7010637 0.83 FFAR3 (0.54) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7817258 0.83 GPR174 (0.72) ALDH1A1FFAR3GPR174ABCC9ABCC8
SCHEMBL15450498 0.83 GPR174 (0.74) GPR174MAPTTDP1MEN1KMT2A
SCHEMBL7820668 0.82 ABCC9 (0.66) ALDH1A1KDM4EGPR174ABCC9ABCC8
SCHEMBL8876634 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL1002731 0.77 ABCC9 (0.73) ALDH1A1KDM4EHSD17B10GPR174ABCC9
SCHEMBL8741643 0.77 GPR174 (0.61) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7815046 0.76 KMT2A (0.70) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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