SCHEMBL28077326

SCHEMBL28077326

CC(=CCC[O])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES1 P23141 3/20 0.40
CES2 O00748 2/20 0.40
KDM1A O60341 1/20 0.39
DEGS1 O15121 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL30705332 0.87 KDM1A (0.44) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL10454475 0.86 TBXAS1 (0.42) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL10454486 0.86 TBXAS1 (0.42) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL29633520 0.81 TBXAS1 (0.41) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL9757698 0.81 CYP1A2 (0.42) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL10907609 0.81 CYP1A2 (0.42) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL1193728 0.81 CYP1A2 (0.42) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL11808129 0.80 TBXAS1 (0.48) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL11808134 0.80 TBXAS1 (0.48) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL25871397 0.80 TBXAS1 (0.48) TBXAS1MTNR1AMTNR1BCYP1A2CYP2D6

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-105837614-B A kind of preparation method of methyl phenyl vinyl Ethoxysilane 佛山市华联有机硅有限公司 2018-08-21 CN disclosed
CN-105837614-A Preparation method of methylphenylvinylethoxysilane 佛山市华联有机硅有限公司 2016-08-10 CN disclosed