SCHEMBL29033283

SCHEMBL29033283

C/C=C/c1cccc(/C=C/C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
NFE2L2 Q16236 3/20 0.46
CYP3A4 P08684 2/20 0.45
ATM Q13315 2/20 0.45
FBP1 P09467 1/20 0.44
TYR P14679 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APP P05067 4/20 0.42
PDK2 Q15119 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LCK P06239 1/20 0.41
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL335942 1.00 CNR2 (0.50) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL335941 1.00 CNR2 (0.50) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL28005548 0.92 CNR2 (0.45) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL4959089 0.88 TP53 (0.56) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL4134518 0.88 ALDH1A1 (0.50) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL23252588 0.88 CNR2 (0.42) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL20725116 0.88 ALDH1A1 (0.50) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL1647162 0.88 ALDH1A1 (0.50) CNR2NFE2L2CYP3A4ATMFBP1
SCHEMBL31018378 0.85 TP53 (0.58) CNR2NFE2L2FBP1LMNATP53
SCHEMBL673306 0.85 TP53 (0.58) CNR2NFE2L2FBP1LMNATP53

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
CN-116410374-A Star-branched telechelic polyisobutene, and preparation method and application thereof 北京石油化工学院 2023-07-11 CN claimed
CN-116410374-A Star-branched telechelic polyisobutene, and preparation method and application thereof 北京石油化工学院 2023-07-11 CN disclosed