SCHEMBL28465637

SCHEMBL28465637

CCCCCOC(=O)CC(C(=O)OCCCCC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAAA Q02083 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL29076639 0.82 TSHR (0.45) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28340183 0.82 TSHR (0.50) TSHRCYP1A2MAPK1TP53CYP3A4
SCHEMBL2457716 0.82 TSHR (0.51) TSHRCYP1A2ALDH1A1MAPTPOLB
SCHEMBL2453639 0.79 TSHR (0.50) TSHRCYP1A2TP53CYP3A4ALDH1A1
SCHEMBL877398 0.74 TSHR (0.53) TSHRCYP1A2MAPK1TP53CYP3A4
SCHEMBL29617347 0.72 CYP1A2 (0.51) TSHRCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL28637793 0.72 CYP1A2 (0.51) TSHRCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL28340273 0.72 NPSR1 (0.50) MAPK1L3MBTL1MAPTNPSR1NAAA
SCHEMBL29617349 0.72 CYP1A2 (0.51) TSHRCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL9015851 0.72 TSHR (0.42) TSHRCYP1A2MAPK1TP53CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716591-A Catalyst component for propylene polymerization, preparation method and application thereof 任丘市利和科技发展有限公司 2022-07-08 CN disclosed
CN-112204055-B Polypropylene composition and molded article 巴塞尔聚烯烃意大利有限公司 2022-01-18 CN disclosed
CN-107417819-B Solid catalyst component for olefin polymerization, catalyst and application thereof 北京利和知信科技有限公司 2021-11-16 CN disclosed
CN-107417818-B Catalyst component for olefin polymerization, preparation method and catalyst 北京利和知信科技有限公司 2021-09-21 CN disclosed
CN-108219295-B Polypropylene composition, polypropylene sheet and process for producing the same, and secondary molded article 富比食品包装有限公司 2021-09-07 CN disclosed
CN-108117617-B Solid catalyst component and catalyst for olefin polymerization 任丘市利和科技发展有限公司 2021-05-04 CN disclosed
CN-111712541-A Polypropylene composition and molded article 巴塞尔聚烯烃意大利有限公司 2020-09-25 CN disclosed