SCHEMBL28994396

SCHEMBL28994396

CCCCCCOC(=O)c1ccc(C)cc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL28994414 1.00 ALDH1A1 (0.61) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28994534 0.99 TSHR (0.60) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28576837 0.94 ALDH1A1 (0.69) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4628791 0.94 ALDH1A1 (0.69) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28363256 0.93 TSHR (0.68) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL301821 0.88 TSHR (0.67) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL6912120 0.85 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL10534969 0.84 ALDH1A1 (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL6400270 0.84 ALDH1A1 (0.87) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL1663823 0.84 ALDH1A1 (0.87) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507303-B External electron donor for olefin polymerization, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2023-05-05 CN disclosed
CN-116023527-A Slurry catalyst and paste catalyst, and preparation methods and applications thereof 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116023555-A External electron donor, application thereof, catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116023548-A External electron donor composition, application thereof, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2023-04-28 CN disclosed
CN-116023549-A Prepolymerized catalyst, preparation method and application thereof 中国石油化工股份有限公司 2023-04-28 CN disclosed