SCHEMBL5399166

SCHEMBL5399166

CCCCc1cc(CCCC)c(O)c(CCCC)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TYR P14679 3/20 0.44
ALOX5 P09917 9/20 0.42
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28318310 0.90 HTT (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5680697 0.86 HTT (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL10790471 0.86 HTT (0.48) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678144 0.82 TYR (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28393562 0.82 HTT (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5680552 0.82 TYR (0.51) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11483316 0.81 HTT (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9513212 0.81 TYR (0.54) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28408800 0.81 ALOX5 (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678604 0.81 HTT (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217749-B2 Process for infusing an alkali metal nitrite into a synthetic resinous material NORTHERN TECHNOLOGIES INTERNATIONAL CORPORATION (US) 2007-05-15 US disclosed
US-20040208996-A1 Process for infusing an alkali metal nitrite into a synthetic resinous material NORTHERN TECHNOLOGIES INTERNATIONAL CORPORATION 2004-10-21 US disclosed
US-20040181002-A1 Process for infusing an alkali metal nitrite into a synthetic resinous material NORTHERN TECHNOLOGIES INTERNATIONAL CORPORATION 2004-09-16 US disclosed