SCHEMBL5532709

SCHEMBL5532709

O=C1C(c2cc(C#Cc3ccccc3)cc(C#Cc3ccccc3)c2)=C(c2ccc(Oc3ccc(C#Cc4ccccc4)cc3)cc2)C(c2ccc(Oc3ccc(C#Cc4ccccc4)cc3)cc2)=C1c1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
FFAR1 O14842 3/20 0.40
SLK Q9H2G2 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL13567250 1.00 GSTP1 (0.42) GSTP1FFAR1SLKGPR84NPC1
SCHEMBL13567215 0.99 GSTP1 (0.41) GSTP1FFAR1SLKGPR84NPC1
SCHEMBL13567208 0.97 GSTP1 (0.42) GSTP1FFAR1SLKGPR84NPC1
SCHEMBL13567211 0.97 GSTP1 (0.42) GSTP1FFAR1SLKGPR84NPC1
SCHEMBL13567249 0.97 GSTP1 (0.42) GSTP1FFAR1SLKGPR84NPC1
SCHEMBL13567246 0.92 FFAR1 (0.45) GSTP1FFAR1SLKGPR84HAO1
SCHEMBL14584315 0.92 FFAR1 (0.45) GSTP1FFAR1SLKGPR84HAO1
SCHEMBL13567205 0.92 FFAR1 (0.45) GSTP1FFAR1SLKGPR84HAO1
SCHEMBL13567243 0.91 FFAR1 (0.44) GSTP1FFAR1SLKGPR84HAO1
SCHEMBL13567244 0.91 FFAR1 (0.44) GSTP1FFAR1SLKGPR84HAO1

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
JP-2006525413-A 2006-11-09 JP claimed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO claimed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO disclosed