SCHEMBL7817207

SCHEMBL7817207

O=C1CCCC2=C1C(c1cccs1)C1=C(CCCC1=O)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.65
KDM4E B2RXH2 9/20 0.65
ALDH1A1 P00352 9/20 0.62
TSHR P16473 5/20 0.62
HPGD P15428 5/20 0.62
GAA P10253 5/20 0.61
POLB P06746 2/20 0.58
ESR2 Q92731 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FFAR3 O14843 1/20 0.58
ALOX15 P16050 1/20 0.58
GLA P06280 2/20 0.54
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
USP2 O75604 3/20 0.52
HTT P42858 2/20 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
SCHEMBL7010448 0.85 KDM4E (0.56) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL15435872 0.85 GPR174 (0.62) HSD17B10KDM4ETSHRGAAMAPT
SCHEMBL2998592 0.78 KDM4E (1.00) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL7818487 0.77 ALDH1A1 (0.67) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL3324020 0.76 KDM4E (0.78) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL7817258 0.74 GPR174 (0.72) ALDH1A1GAAFFAR3MAPTABCC9
SCHEMBL3326098 0.74 KDM4E (0.80) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL3242208 0.74 FFAR3 (0.70) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL7678904 0.73 HSD17B10 (0.42) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL8741578 0.71 ABCC9 (0.65) HSD17B10KDM4EMAPTABCC9ABCC8

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