SCHEMBL6233326

SCHEMBL6233326

CCCCc1c(O)c(O)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX5 P09917 6/20 0.47
TYR P14679 3/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.35

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
SCHEMBL6231388 0.88 PGAM1 (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL3899964 0.81 ALOX5 (0.49) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL19228627 0.81 HTT (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5592696 0.79 HPGD (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5587469 0.78 TYR (0.49) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL24452313 0.77 HPGD (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL6232748 0.77 HPGD (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL6233333 0.76 ALOX5 (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677836 0.76 HPGD (0.53) HTTNPC1HPGDMAPK1RAB9A
Acetic Acid SCHEMBL27851326 0.76 HCAR2 (0.40) HTTNPC1HPGDMAPK1RAB9A

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed