SCHEMBL4365602

SCHEMBL4365602

C=CCCCc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
FOLH1 Q04609 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
IDH1 O75874 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
EP300 Q09472 1/20 0.32

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
SCHEMBL9842555 0.95 ALDH1A1 (0.37) TLR8DPP4PDCD1CD274FOLH1
SCHEMBL10600315 0.86 DPP4 (0.47) TLR8DPP4PDCD1CD274FOLH1
SCHEMBL5011105 0.83 DPP4 (0.37) DPP4PDCD1CD274FOLH1KMT2A
SCHEMBL5008606 0.81 DPP4 (0.36) DPP4PDCD1CD274FOLH1KMT2A
SCHEMBL5139126 0.80 DPP4 (0.50) DPP4PDCD1CD274FOLH1ALDH1A1
SCHEMBL3125961 0.80 GABRA1 (0.52) DPP4PDCD1CD274FOLH1GABRA1
SCHEMBL7707048 0.78 PDCD1 (0.44) TLR8DPP4PDCD1CD274FOLH1
SCHEMBL9842501 0.77 PDCD1 (0.38) DPP4PDCD1CD274FOLH1HSD17B10
SCHEMBL11296054 0.77 DHFR (0.47) TLR8DPP4PDCD1CD274EP300
Hydrogen Sulfide SCHEMBL28757775 0.77 PDCD1 (0.43) TLR8DPP4PDCD1CD274FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009037902-A CATALYST CARRYING CARRIER FOR FORMING ELECTRODE FOR FUEL CELL, METHOD FOR MANUFACTURING THE SAME, AND SOLID POLYMER FUEL CELL TOYOTA MOTOR CORP 2009-02-19 JP disclosed