SCHEMBL6574481

SCHEMBL6574481

C=C1CCC(=C)c2c1ccc(C=Cc1ccccc1)c2C=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.36
TRPA1 O75762 2/20 0.36
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
CHAT P28329 1/20 0.33
NR1H2 P55055 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PELI1 Q96FA3 1/20 0.32

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
SCHEMBL541653 0.75 NFE2L2 (0.42) NFE2L2TRPA1CHATNR1H2CYP1A1
SCHEMBL541654 0.75 NFE2L2 (0.42) NFE2L2TRPA1CHATNR1H2CYP1A1
SCHEMBL56068 0.73 PELI1 (0.41) NFE2L2TRPA1CHATNR1H2CYP1A1
SCHEMBL56069 0.73 PELI1 (0.41) NFE2L2TRPA1CHATNR1H2CYP1A1
SCHEMBL2033487 0.73 NFE2L2 (0.54) NFE2L2TRPA1CHATCYP1A1CYP1A2
SCHEMBL2033485 0.73 NFE2L2 (0.54) NFE2L2TRPA1CHATCYP1A1CYP1A2
SCHEMBL478036 0.67 NFE2L2 (0.58) NFE2L2TRPA1CHATNR1H2MAOA
SCHEMBL478037 0.67 NFE2L2 (0.58) NFE2L2TRPA1CHATNR1H2MAOA
SCHEMBL11143726 0.67 TRPA1 (0.53) NFE2L2TRPA1LMNAPELI1
SCHEMBL1617410 0.66 CYP1A2 (0.43) NFE2L2TRPA1CHATSRD5A1SRD5A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027398-B1 LIGHT-EMITTING DENDRIMERS AND DEVICES ISIS INNOVATION (GB) 2004-06-09 EP disclosed