SCHEMBL3671803

SCHEMBL3671803

CCCCc1c(Cc2ccc(N)c(CCl)c2CCCC)ccc(N)c1CCl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
CTRC Q99895 1/20 0.33
TYR P14679 2/20 0.33
TLR8 Q9NR97 1/20 0.31
TYMP P19971 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3668951 0.89 NOS2 (0.33) SKP2NOS2
SCHEMBL3670115 0.89 SKP2 (0.47) SKP2CTRCTYRTLR8NOS2
SCHEMBL3674983 0.88 SKP2 (0.41) SKP2CTRCTYRTLR8TYMP
SCHEMBL3669804 0.83 SKP2 (0.46) SKP2CTRCTYRTLR8NOS2
SCHEMBL3675234 0.83 SKP2 (0.42) SKP2CTRCTYRTLR8NOS2
SCHEMBL3675878 0.82
SCHEMBL3674217 0.81 SKP2 (0.41) SKP2TYRTLR8NOS2NPC1
SCHEMBL3672397 0.81 SKP2 (0.45) SKP2TYRTLR8NOS2NPC1
SCHEMBL1239687 0.80 SKP2 (0.48) SKP2CTRCTYRTLR8NOS2
SCHEMBL3674257 0.79 NOS2 (0.33) SKP2NOS2

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