SCHEMBL28083173

SCHEMBL28083173

FC(F)F.FNc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TDP1 Q9NUW8 5/20 0.45
HSD17B10 Q99714 4/20 0.45
CTSD P07339 1/20 0.45
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALOX12 P18054 3/20 0.43
PTGS2 P35354 2/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 3/20 0.42
CYP3A4 P08684 4/20 0.41
IDO1 P14902 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL58557 0.91
SCHEMBL29728792 0.91
Hydrochloric Acid SCHEMBL22263479 0.88
SCHEMBL10799564 0.88
Fluoride SCHEMBL28606152 0.88
Iodide SCHEMBL29022383 0.88
Methane SCHEMBL28520622 0.88
Nitrogen SCHEMBL27631396 0.82 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL22789551 0.80 ALDH1A1 (0.72) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL10387981 0.80 ALDH1A1 (0.72) ALDH1A1TDP1HSD17B10CTSDTSHR

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
CN-103402975-B beta-hydroxyalkylamide and resin composition 东洋油墨SC控股株式会社 2016-08-17 CN disclosed