SCHEMBL28026739

SCHEMBL28026739

CCCCOC(=O)c1ccccc1OC(=O)CC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
TDP1 Q9NUW8 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MAPK1 P28482 3/20 0.57
CYP3A4 P08684 2/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 9/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL28026148 0.92 ALDH1A1 (0.61) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11427518 0.87 TSHR (0.69) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6717570 0.85 TSHR (0.65) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL1282684 0.84 TSHR (0.73) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28859125 0.84 TSHR (0.63) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL11328998 0.83 TSHR (0.69) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL1870045 0.83 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4398193 0.83 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL5158356 0.83 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL5158365 0.83 TSHR (0.71) TSHRTDP1L3MBTL1MAPK1CYP3A4

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-104829757-B A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application 中国科学院化学研究所 2018-04-27 CN disclosed
CN-104829757-A Salicylate-compound-containing solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed