SCHEMBL28020540

SCHEMBL28020540

CCCCOc1c(C)cccc1C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.43
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL27703396 0.86 PLAU (0.46) TSHRNPC1ALDH1A1CYP3A4LMNA
SCHEMBL28020507 0.84 TSHR (0.66) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL14974491 0.84 TSHR (0.57) TSHRL3MBTL1TDP1NPC1CCNB2
SCHEMBL28020068 0.84 ALDH1A1 (0.55) TSHRL3MBTL1TDP1CCNB2CCNE2
SCHEMBL28020064 0.83 TSHR (0.59) TSHRL3MBTL1TDP1CCNB2CCNE2
SCHEMBL28020514 0.83 SCN4A (0.45) TSHRNPC1ALDH1A1CYP3A4LMNA
SCHEMBL382128 0.81 KDM4E (0.57) TSHRL3MBTL1TDP1NPC1CCNB2
SCHEMBL29196230 0.81 NPC1 (0.50) L3MBTL1NPC1ALDH1A1MAPK1LMNA
SCHEMBL28020495 0.80 TSHR (0.56) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL14992204 0.80 TSHR (0.58) TSHRL3MBTL1TDP1NPC1ALDH1A1

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