SCHEMBL28026148

SCHEMBL28026148

CCCOC(=O)c1ccccc1OC(=O)CC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
TSHR P16473 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 3/20 0.46
PTGS2 P35354 2/20 0.45
MAOB P27338 1/20 0.45
PDK2 Q15119 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28026739 0.92 TSHR (0.63) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28026171 0.87 ALDH1A1 (0.67) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL1914072 0.83 KDM4E (0.48) ALDH1A1TSHRTDP1LMNAKDM4E
SCHEMBL1282581 0.83 ALDH1A1 (0.71) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL5155551 0.82 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL5155541 0.82 ALDH1A1 (0.69) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL30861110 0.82 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4782034 0.82 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28026733 0.82 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28020070 0.81 ALDH1A1 (0.63) ALDH1A1ADRB2ADRB1ADRB3TSHR

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