SCHEMBL3668949

SCHEMBL3668949

CCCc1cc(Cc2cc(CCC)c(C)c(Cl)c2N)c(N)c(Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALOX5 P09917 2/20 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
SCHEMBL3671802 0.89 SKP2 (0.35) IKBKBALDH1A1GAAMAPTNOS2
SCHEMBL3675876 0.85 ALDH1A1 (0.35) ALDH1A1GAAMAPTCYP1A2ALOX15
SCHEMBL3674821 0.81 NOS2 (0.30) IKBKBNOS2
SCHEMBL3674256 0.80 KDM4E (0.33) ALDH1A1
SCHEMBL3673501 0.79 ALDH1A1 (0.36) IKBKBALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3678215 0.78 IKBKB (0.33) IKBKBALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3670753 0.75 SKP2 (0.35) IKBKBNOS2
SCHEMBL3674981 0.74 TLR8 (0.33) NOS2
SCHEMBL3797886 0.73 NOS2 (0.38) IKBKBALDH1A1GAAMAPTNOS3
SCHEMBL8082953 0.72 CYP3A4 (0.36) ALDH1A1MAPTALOX15HSD17B10ALOX5

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