SCHEMBL28985011

SCHEMBL28985011

C=CCOc1ccc(C(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
CARM1 Q86X55 1/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FKBP1A P62942 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL21736836 0.82 MAPT (0.42) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL27762926 0.80 ALDH1A1 (0.53) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL9945969 0.80 KDM4E (0.58) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL21736917 0.78 MAOB (0.42) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL4778778 0.77 ALDH1A1 (0.50) KDM4EKMT2AMEN1GAAALDH1A1
SCHEMBL4861376 0.76 ALDH1A1 (0.49) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL12005938 0.76 ALDH1A1 (0.49) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL10650052 0.76 MCL1 (0.54) KDM4EKMT2AMEN1HTTGAA
SCHEMBL9945997 0.76 KDM4E (0.61) KDM4ECARM1KMT2AMEN1HTT
SCHEMBL28517850 0.76 ALDH1A1 (0.49) KMT2AMEN1GAAALDH1A1HPGD

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-115975202-A Siloxane-modified fluorine-containing antibacterial polymethyl siloxane with antibacterial hydrophobic function and preparation method and application thereof 苏州东杏新材料科技有限公司 2023-04-18 CN claimed
CN-115975202-A Siloxane-modified fluorine-containing antibacterial polymethyl siloxane with antibacterial hydrophobic function and preparation method and application thereof 苏州东杏新材料科技有限公司 2023-04-18 CN disclosed