SCHEMBL4316653

SCHEMBL4316653

CCCc1cccc(C=Cc2ccccc2)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.42
TRPA1 O75762 2/20 0.42
CHAT P28329 4/20 0.42
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
DHFR P00374 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL28168219 0.87 NFE2L2 (0.40) NFE2L2TRPA1CHATRELAKDM4E
SCHEMBL6546302 0.86 CHAT (0.50) NFE2L2TRPA1CHATRELAPTGER4
SCHEMBL6546316 0.86 CHAT (0.50) NFE2L2TRPA1CHATRELAPTGER4
SCHEMBL6548300 0.83 RAB9A (0.42) NFE2L2TRPA1CHATRELAKDM4E
SCHEMBL3314632 0.79 CHAT (0.51) NFE2L2TRPA1CHATRELAALDH1A1
SCHEMBL6546138 0.79 CHAT (0.51) NFE2L2TRPA1CHATRELAALDH1A1
SCHEMBL28200457 0.77 TRPA1 (0.40) NFE2L2TRPA1CHATPTGER4PTGER3
SCHEMBL4326063 0.76 CHAT (0.47) NFE2L2TRPA1CHATRELAPTGER4
SCHEMBL560985 0.76 CHAT (0.47) NFE2L2TRPA1CHATRELAPTGER4
SCHEMBL4316647 0.76 MITF (0.38) NFE2L2CHATKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138301-A1 ELECTRONIC PACKAGING EVONIK DEGUSSA GMBH (DE) 2009-11-19 WO disclosed
CN-1145353-A Epoxy resin, resin composition, and resin-encapsulated semiconductor device SUMITOMO CHEMICAL CO (JP) 1997-03-19 CN disclosed