SCHEMBL3668917

SCHEMBL3668917

CCCc1c(CN)cccc1Cc1cccc(CN)c1CCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.39
TLR8 Q9NR97 3/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
DPP4 P27487 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NOS2 P35228 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
SCHEMBL8074849 0.89 PNMT (0.40) PNMTTLR8GABRA1GABRB2KDM4E
SCHEMBL3670219 0.88 TLR8 (0.43) PNMTTLR8GABRA1GABRB2TAAR1
SCHEMBL3670450 0.86 TAAR1 (0.45) GABRA1GABRB2TAAR1
SCHEMBL3674175 0.83 GABRA1 (0.44) PNMTTLR8GABRA1GABRB2DPP4
SCHEMBL10800343 0.78 TLR8 (0.40) PNMTTLR8
SCHEMBL1452942 0.77 ALDH1A1 (0.41) GABRA1GABRB2KDM4EALDH1A1GAA
SCHEMBL29070930 0.76 TLR8 (0.46) TLR8
SCHEMBL25843243 0.76 AR (0.35) PNMTKDM4EALDH1A1GAAHPGD
SCHEMBL3934422 0.76 PNMT (0.38) PNMTGABRA1GABRB2KDM4EALDH1A1
SCHEMBL10598924 0.75 HTR2A (0.48) TLR8KDM4EALDH1A1GAAHPGD

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