SCHEMBL16796016

SCHEMBL16796016

O=C(c1ccccc1)c1cccc(F)c1C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALB P02768 1/20 0.39
MYC P01106 1/20 0.38
APP P05067 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
SCHEMBL7576350 0.81 MEN1 (0.46) AKR1C3GAAMAPTNPC1RAB9A
SCHEMBL5134940 0.77 APP (0.57) MAPTNPC1RAB9AFFAR1FFAR4
SCHEMBL28801371 0.77 FFAR1 (0.45) NPC1RAB9AFFAR1FFAR4CES2
SCHEMBL333008 0.75 AKR1C3 (0.61) AKR1C3GAAMAPTNPC1RAB9A
SCHEMBL29433447 0.75 AKR1C3 (0.61) AKR1C3GAAMAPTNPC1RAB9A
SCHEMBL5155932 0.75 AKR1C3 (0.62) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29855934 0.75 NPC1 (0.66) AKR1C3GAAMAPTNPC1RAB9A
SCHEMBL4444737 0.75 NPC1 (0.66) AKR1C3GAAMAPTNPC1RAB9A
SCHEMBL6839761 0.75 MAPK14 (0.46) MAPTRAB9AFFAR1FFAR4ALDH1A1
SCHEMBL7868906 0.75 NPC1 (0.49) AKR1C3MAPTNPC1RAB9AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080189-B1 POLYMERIC MATERIALS VICTREX MFG LTD (GB) 2020-02-12 EP disclosed
US-20160304667-A1 POLYMERIC MATERIALS VICTREX MANUFACTURING LIMITED (GB) 2016-10-20 US disclosed
EP-3080189-A1 POLYMERIC MATERIALS Victrex Manufacturing Limited (GB) 2016-10-19 EP disclosed
WO-2015087059-A1 POLYMERIC MATERIALS VICTREX MANUFACTURING LIMITED (GB) 2015-06-18 WO disclosed