SCHEMBL5521992

SCHEMBL5521992

C#Cc1ccc(C2=C(c3cc(C#Cc4ccccc4)cc(C#Cc4ccccc4)c3)C(=O)C(c3cc(C#Cc4ccccc4)cc(C#Cc4ccccc4)c3)=C2c2ccc(C#C)cc2)cc1.c1cc2ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GRM5 P41594 5/20 0.36
APP P05067 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13582298 0.98 FFAR1 (0.40) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13581863 0.94 FFAR1 (0.40) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13582396 0.91 APP (0.43) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13582001 0.91 APP (0.43) FFAR1NPC1MTORRAB9AESR1
SCHEMBL5521989 0.91 NPC1 (0.44) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13581864 0.89 APP (0.41) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13581855 0.88 CYP1A1 (0.39) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13582389 0.88 CYP1A1 (0.39) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13582399 0.88 CYP1A1 (0.39) FFAR1NPC1MTORRAB9AESR1
SCHEMBL13582392 0.88 KCNH2 (0.40) FFAR1NPC1RAB9AESR1ESR2

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-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US claimed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO disclosed