SCHEMBL5521989

SCHEMBL5521989

O=C1C(c2cc(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(C#Cc3ccccc3)cc2)=C1c1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
APP P05067 1/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GRM5 P41594 6/20 0.41
HNF4A P41235 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL13567204 0.96 ESR1 (0.46) NPC1MTORRAB9AMAPTAPP
SCHEMBL13567259 0.96 NPC1 (0.44) NPC1MTORRAB9AMAPTAPP
SCHEMBL13567212 0.96 ESR1 (0.46) NPC1MTORRAB9AMAPTAPP
SCHEMBL12326146 0.95 ESR1 (0.45) NPC1MTORRAB9AMAPTAPP
SCHEMBL4844425 0.95 NPC1 (0.46) NPC1MTORRAB9AMAPTAPP
SCHEMBL13582298 0.92 FFAR1 (0.40) NPC1MTORRAB9AMAPTAPP
SCHEMBL5532709 0.91 GSTP1 (0.42) NPC1MTORRAB9AMAPTAPP
SCHEMBL5521992 0.91 FFAR1 (0.39) NPC1MTORRAB9AMAPTAPP
SCHEMBL13567250 0.91 GSTP1 (0.42) NPC1MTORRAB9AMAPTAPP
SCHEMBL5525269 0.91 APP (0.52) NPC1MTORRAB9AMAPTAPP

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