SCHEMBL3242208

SCHEMBL3242208

CC1=C(C(=O)NCc2ccccc2)C(c2cccs2)C2=C(CCCC2=O)N1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 9/20 0.70
KDM4E B2RXH2 7/20 0.68
HSD17B10 Q99714 6/20 0.68
ALDH1A1 P00352 7/20 0.67
HPGD P15428 3/20 0.66
TSHR P16473 2/20 0.66
ALOX15 P16050 1/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL3004053 0.85 HSD17B10 (0.66) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3326098 0.83 KDM4E (0.80) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3250425 0.80 FFAR3 (0.70) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2998592 0.79 KDM4E (1.00) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3324020 0.76 KDM4E (0.78) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3320570 0.75 KDM4E (0.75) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7817207 0.74 HSD17B10 (0.65) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3249509 0.73 KDM4E (0.61) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7010448 0.69 KDM4E (0.56) FFAR3KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2993652 0.69 ALDH1A1 (0.51) FFAR3KDM4EHSD17B10ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed