SCHEMBL3674981

SCHEMBL3674981

CCCCc1cc(Cc2cc(CCCC)c(CCC)c(Cl)c2N)c(N)c(Cl)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
CTRC Q99895 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
TYR P14679 1/20 0.32
SKP2 Q13309 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
SCHEMBL3670753 0.95 SKP2 (0.35) TLR8CTRCGABRPGABRDGABRA1
SCHEMBL3674821 0.91 NOS2 (0.30) NOS2
SCHEMBL3674256 0.83 KDM4E (0.33)
SCHEMBL3671802 0.81 SKP2 (0.35) TLR8CTRCGABRPGABRDGABRA1
SCHEMBL3672394 0.81 SKP2 (0.35) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL3674215 0.80 TLR8 (0.33) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL3679070 0.76 SKP2 (0.40) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL3670341 0.75 SKP2 (0.35) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL10446044 0.74 HTT (0.42) TLR8CTRCTYRSKP2NOS2
SCHEMBL3668949 0.74 IKBKB (0.33) NOS2

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