SCHEMBL3672843

SCHEMBL3672843

CCCCc1ccc(Cc2ccc(CCCC)c(CCC)c2N)c(N)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.39
TLR8 Q9NR97 3/20 0.37
CTRC Q99895 1/20 0.36
NOS2 P35228 1/20 0.34
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC2A1 P11166 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
SCHEMBL3670114 0.94 TYR (0.40) TYRTLR8CTRCNOS2SKP2
SCHEMBL6404925 0.90 NOS2 (0.37) NOS2KDM4EHTTMAPTTSHR
SCHEMBL842068 0.86 TYR (0.40) TYRTLR8CTRCNOS2SKP2
SCHEMBL7549767 0.82 NOS2 (0.37) NOS2KDM4EHTTMAPTTSHR
SCHEMBL11700431 0.81 NOS2 (0.39) NOS2KDM4EPOLBALDH1A1GAA
SCHEMBL3670448 0.80 KDM4E (0.37) NOS2KDM4EHTTMAPTTSHR
SCHEMBL28184330 0.80 SKP2 (0.44) TYRTLR8CTRCNOS2SKP2
SCHEMBL3678229 0.79 TYR (0.38) TYRTLR8CTRCNOS2SKP2
SCHEMBL3670218 0.78 TYR (0.41) TYRTLR8CTRCNOS2SKP2
SCHEMBL3806265 0.78 SKP2 (0.47) TYRTLR8CTRCNOS2SKP2

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