SCHEMBL3671802

SCHEMBL3671802

CCCCc1cc(Cc2cc(CCCC)c(C)c(Cl)c2N)c(N)c(Cl)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.35
TLR8 Q9NR97 2/20 0.34
NOS2 P35228 1/20 0.34
CTRC Q99895 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 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
SCHEMBL3668949 0.89 IKBKB (0.33) NOS2IKBKBALDH1A1GAAMAPT
SCHEMBL3670753 0.86 SKP2 (0.35) SKP2TLR8NOS2CTRCGABRP
SCHEMBL3675876 0.82 ALDH1A1 (0.35) NOS2HTTALDH1A1GAAMAPT
SCHEMBL3674981 0.81 TLR8 (0.33) SKP2TLR8NOS2CTRCGABRP
SCHEMBL3669801 0.81 SKP2 (0.40) SKP2TLR8NOS2GABRPGABRD
SCHEMBL3675232 0.79 SKP2 (0.35) SKP2TLR8NOS2GABRPGABRD
SCHEMBL10453603 0.75 CTRC (0.40) SKP2TLR8NOS2CTRCGABRP
SCHEMBL10446044 0.75 HTT (0.42) SKP2TLR8NOS2CTRCTYR
SCHEMBL8089722 0.74 CTRC (0.37) SKP2TLR8NOS2CTRCTYR
SCHEMBL3679070 0.74 SKP2 (0.40) SKP2TLR8NOS2GABRPGABRD

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