SCHEMBL6004333

SCHEMBL6004333

Cc1ccc(Oc2ccnc3ccc(OCCC4CCCCC4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 4/20 0.42
KIT P10721 3/20 0.42
HPGD P15428 4/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
NFE2L2 Q16236 1/20 0.36
TGFBR1 P36897 2/20 0.35
YES1 P07947 1/20 0.34
PDGFRB P09619 1/20 0.34
EPHB4 P54760 1/20 0.34
AXL P30530 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
MCHR1 Q99705 1/20 0.33
FLT3 P36888 1/20 0.33
RIPK1 Q13546 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
SCHEMBL6004932 0.88 IRAK4 (0.39) KITFLT3
SCHEMBL6004162 0.86 ALDH1A1 (0.36) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6004262 0.84 ALDH1A1 (0.36) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6004922 0.84 SLC22A12 (0.39) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6005251 0.83 PDE2A (0.39) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6005366 0.82 PDGFRB (0.36) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6004251 0.80 TGFBR1 (0.39) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6005281 0.79 DDR2 (0.34) PDGFRATGFBR1PDGFRBAXL
SCHEMBL6004285 0.79 CYP3A4 (0.46) HPGDALOX5
SCHEMBL6004825 0.79 SLC6A2 (0.52)

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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed