SCHEMBL28026178

SCHEMBL28026178

CCC(=O)Oc1ccccc1C(=O)OCC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
TSHR P16473 2/20 0.68
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KDM4E B2RXH2 4/20 0.46
RECQL P46063 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
SCHEMBL28213140 0.88 ALDH1A1 (0.64) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1283916 0.88 ALDH1A1 (0.72) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1862889 0.86 ALDH1A1 (0.70) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL8587612 0.86 TSHR (0.65) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL10786068 0.85 ALDH1A1 (0.68) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL29008201 0.84 ALDH1A1 (0.66) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL28026171 0.83 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL27461383 0.83 ALDH1A1 (0.70) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1073248 0.83 ALDH1A1 (0.74) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL28020498 0.83 ALDH1A1 (0.74) ALDH1A1TSHRMAPTMEN1KMT2A

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