SCHEMBL28026157

SCHEMBL28026157

CC(C)CC(=O)Oc1ccccc1C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGS2 P35354 1/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDK2 Q15119 1/20 0.42
HPGD P15428 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 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
SCHEMBL1914072 0.87 KDM4E (0.48) KDM4EHSD17B10ALDH1A1PTGS2PKM
SCHEMBL28026636 0.86 NPC1 (0.51) NPC1KDM4EHSD17B10ALDH1A1PTGS2
SCHEMBL1283020 0.83 NPC1 (0.55) NPC1KDM4EHSD17B10ALDH1A1PTGS2
SCHEMBL28026634 0.83 NPC1 (0.49) NPC1KDM4EHSD17B10ALDH1A1PTGS2
SCHEMBL1868204 0.82 KDM4E (0.63) NPC1KDM4EHSD17B10ALDH1A1PTGS2
SCHEMBL7712758 0.82 KDM4E (0.64) KDM4EHSD17B10ALDH1A1PTGS2TSHR
SCHEMBL16756208 0.81 ALOX15 (0.59) KDM4EHSD17B10ALDH1A1TSHRMEN1
SCHEMBL14499259 0.81 HTT (0.60) KDM4EHSD17B10ALDH1A1PTGS2TSHR
SCHEMBL1913963 0.81 SLC6A3 (0.54) KDM4EHSD17B10ALDH1A1PTGS2TSHR
SCHEMBL28026148 0.81 ALDH1A1 (0.61) KDM4EHSD17B10ALDH1A1PTGS2TSHR

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