SCHEMBL3674217

SCHEMBL3674217

CCCCc1c(Cc2ccc(N)c(CCCI)c2CCCC)ccc(N)c1CCCI

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
TYR P14679 1/20 0.32
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 1/20 0.30
NOS2 P35228 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3670115 0.91 SKP2 (0.47) SKP2TYRTLR8TLR7NOS2
SCHEMBL3675234 0.88 SKP2 (0.42) SKP2TYRTLR8NOS2NPC1
SCHEMBL3674983 0.83 SKP2 (0.41) SKP2TYRTLR8NOS2NPC1
SCHEMBL3672397 0.83 SKP2 (0.45) SKP2TYRTLR8NOS2NPC1
SCHEMBL3674203 0.83 NOS2 (0.33) NOS2
SCHEMBL1239687 0.82 SKP2 (0.48) SKP2TYRTLR8NOS2NPC1
SCHEMBL3669804 0.81 SKP2 (0.46) SKP2TYRTLR8NOS2NPC1
SCHEMBL3671803 0.81 SKP2 (0.42) SKP2TYRTLR8NOS2NPC1
Iodide SCHEMBL5087267 0.80 SKP2 (0.47) SKP2TYRTLR8NOS2NPC1
Bromide SCHEMBL5091368 0.80 SKP2 (0.47) SKP2TYRTLR8NOS2NPC1

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
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed