SCHEMBL28056231

SCHEMBL28056231

CCOC=Cc1cccc(OCC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
TRIM24 O15164 1/20 0.39
LCK P06239 1/20 0.38
RELA Q04206 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCNB1 P14635 2/20 0.37
CCND1 P24385 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL5017311 0.88 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL27903200 0.86 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL30387118 0.81 LCK (0.56) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL7079097 0.81 TLR4 (0.62) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL6419822 0.78 TRIM24 (0.43) KDM4EALDH1A1SMN1; SMN2TRIM24NR1H4
SCHEMBL16951851 0.76 NR1H4 (0.44) KDM4EALDH1A1SMN1; SMN2TRIM24NR1H4
SCHEMBL272554 0.76 MAOA (0.57) KDM4EALDH1A1SMN1; SMN2TRIM24NR1H4
SCHEMBL411729 0.76 TDP1 (0.44) KDM4EALDH1A1SMN1; SMN2TRIM24NR1H4
SCHEMBL7075501 0.76 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2TLR4TLR2
SCHEMBL5023790 0.76 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2TLR4TLR2

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
CN-102870047-B Positive radiation-sensitive composition, display element interlayer dielectric and forming method thereof JSR CORP. (JP) 2016-03-02 CN disclosed