SCHEMBL28194136

SCHEMBL28194136

CCCOC(=O)c1c(C(=O)OCC)cc(=O)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 2/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
APAF1 O14727 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 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
SCHEMBL28193691 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ENR1H2NR1H3HPGD
SCHEMBL28194129 0.97 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28453607 0.95 CYP1A2 (0.42) ALDH1A1KDM4ENR1H2NR1H3HPGD
SCHEMBL28444935 0.93 ALDH1A1 (0.48) ALDH1A1KDM4ENR1H2NR1H3HPGD
SCHEMBL28194135 0.92 TSHR (0.48) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28193672 0.92 TSHR (0.48) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28194128 0.92 TSHR (0.48) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28448106 0.92 TSHR (0.48) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28194131 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL28194134 0.90 CYP1A2 (0.45) ALDH1A1KDM4EHPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619447-A A kind of polyvinyl ingredient of solid catalyst of synthesizing super high molecular weight and preparation method and application 谢炳 2018-01-23 CN claimed
CN-107619447-B Solid catalyst component for synthesizing ultrahigh molecular weight ethylene polymer and preparation method and application thereof 谢炳 2020-08-21 CN disclosed
CN-107619447-A A kind of polyvinyl ingredient of solid catalyst of synthesizing super high molecular weight and preparation method and application 谢炳 2018-01-23 CN disclosed