SCHEMBL28026170

SCHEMBL28026170

CCC(=O)Oc1c(C)cccc1C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL28026633 0.84 TSHR (0.56) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL28821652 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL29196230 0.82 NPC1 (0.50) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL28020078 0.80 CXCR5 (0.49) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL14382477 0.80 KDM4E (0.68) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL28026155 0.80 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL1751993 0.79 SMN1; SMN2 (0.62) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL28026636 0.79 NPC1 (0.51) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL28020540 0.79 TSHR (0.45) ALDH1A1HSD17B10NPC1CA12CA1
SCHEMBL28213211 0.78 CA12 (0.50) ALDH1A1HSD17B10KDM4EHPGDCA12

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