SCHEMBL3669801

SCHEMBL3669801

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.40
NOS2 P35228 1/20 0.35
TLR8 Q9NR97 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYR P14679 2/20 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

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
SCHEMBL3673501 0.89 ALDH1A1 (0.36) SKP2NOS2ALDH1A1CYP1A2ALOX15
SCHEMBL3679070 0.86 SKP2 (0.40) SKP2NOS2TLR8ALDH1A1CYP1A2
SCHEMBL3673769 0.81 ALDH1A1 (0.39) NOS2ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL3672394 0.81 SKP2 (0.35) SKP2NOS2TLR8TYRGABRP
SCHEMBL3675232 0.81 SKP2 (0.35) SKP2NOS2TLR8TYRGABRP
SCHEMBL3671802 0.81 SKP2 (0.35) SKP2NOS2TLR8ALDH1A1TYR
SCHEMBL12339812 0.74 TYR (0.40) SKP2NOS2TLR8ALDH1A1ALOX15
SCHEMBL3670341 0.74 SKP2 (0.35) SKP2NOS2TLR8TYRGABRP
SCHEMBL3670753 0.74 SKP2 (0.35) SKP2NOS2TLR8TYRGABRP
SCHEMBL3670218 0.72 TYR (0.41) SKP2NOS2TLR8ALDH1A1ALOX15

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