SCHEMBL28020084

SCHEMBL28020084

CCCCOc1ccc(C)cc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL14975682 0.89 TSHR (0.50) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL2772330 0.88 MAPT (0.61) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL14279020 0.87 TSHR (0.52) ALDH1A1TSHRL3MBTL1TDP1MAPT
SCHEMBL24962710 0.87 KDM4E (0.48) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL6780076 0.87 TSHR (0.45) ALDH1A1TSHRL3MBTL1TDP1MAPT
SCHEMBL14974837 0.87 TSHR (0.50) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL14974765 0.85 TSHR (0.51) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL14974769 0.85 TSHR (0.51) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL17502667 0.85 KMT2A (0.58) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL24962705 0.85 MEN1 (0.47) ALDH1A1MEN1KMT2ATSHRL3MBTL1

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-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed