SCHEMBL28026734

SCHEMBL28026734

CCCCOC(=O)C1C=CC=C(C)C1(O)C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARG P37231 3/20 0.34
TSHR P16473 5/20 0.33
ESR1 P03372 4/20 0.33
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28026154 0.92 PPM1B (0.31) ALDH1A1
SCHEMBL28026630 0.88 LMNA (0.32) HPGDKDM4ETSHRALDH1A1LMNA
SCHEMBL28026169 0.79
SCHEMBL28213613 0.70
SCHEMBL28441876 0.67 POLA1 (0.39) MAPK1PPARGTSHRNAAACYP3A4
SCHEMBL28392441 0.67 ALDH1A1 (0.35) L3MBTL1HPGDATMMAPK1PPARG
SCHEMBL28026659 0.67 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL18544050 0.66 ALDH1A1 (0.34) L3MBTL1HPGDATMMAPK1PPARG
SCHEMBL18544017 0.66 ALDH1A1 (0.34) L3MBTL1HPGDATMMAPK1PPARG
SCHEMBL18543901 0.65 ALDH1A1 (0.36) L3MBTL1HPGDATMMAPK1PPARG

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