SCHEMBL5406443

SCHEMBL5406443

C(#Cc1ccc(C#Cc2ccc(Oc3cc(Oc4ccc(C#Cc5ccc(C#Cc6ccccc6)cc5)cc4)cc(Oc4ccc(C#Cc5ccc(C#Cc6ccccc6)cc5)cc4)c3)cc2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
FFAR1 O14842 4/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MAPT P10636 1/20 0.48
LTA4H P09960 4/20 0.48
TSHR P16473 1/20 0.48
GRM5 P41594 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43

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
SCHEMBL3839253 0.93 APP (0.63) APPFFAR1MAPTLTA4HTSHR
SCHEMBL14380094 0.91 LTA4H (0.60) APPFFAR1MAPTLTA4HTSHR
SCHEMBL6727043 0.91 LTA4H (0.60) APPFFAR1MAPTLTA4HTSHR
SCHEMBL6287635 0.88 LTA4H (0.63) APPFFAR1MAPTLTA4HTSHR
SCHEMBL5414558 0.86 APP (0.55) APPFFAR1MAPTLTA4HTSHR
SCHEMBL13085869 0.86 APP (0.55) APPFFAR1MEN1NPC1RAB9A
SCHEMBL25135302 0.86 MEN1 (0.59) APPFFAR1MEN1NPC1RAB9A
SCHEMBL13283916 0.86 LTA4H (0.61) APPFFAR1MEN1NPC1RAB9A
SCHEMBL13283918 0.86 LTA4H (0.50) APPFFAR1MEN1KMT2AMAPT
SCHEMBL12272893 0.85 MEN1 (0.62) APPMEN1NPC1RAB9AKMT2A

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
US-7307137-B2 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. (US) 2007-12-11 US disclosed
US-20040247896-A1 Organic compositions HONEYWELL INTERNATIONAL INC. 2004-12-09 US disclosed