SCHEMBL28570919

SCHEMBL28570919

C=CCOC(=O)CC(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 5/20 0.46
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL57069 0.85 TSHR (0.52) TDP1TSHRGAAMGAMSI
Lithium SCHEMBL31366079 0.83 TSHR (0.50) TDP1TSHRGAAMGAMSI
SCHEMBL8865453 0.83 TSHR (0.50) TDP1TSHRGAAMGAMSI
SCHEMBL28559374 0.82 TDP1 (0.53) TDP1TSHRGAAMGAMSI
SCHEMBL31443220 0.82 TSHR (0.49) TDP1TSHRGAAMAPTCACNA1B
Butane SCHEMBL284262 0.81 TSHR (0.60) TDP1TSHRGAAMGAMSI
SCHEMBL527458 0.81 TSHR (0.50) TDP1TSHRGAAMGAMSI
SCHEMBL1386360 0.80 TDP1 (0.50) TDP1TSHRGAAMGAMSI
SCHEMBL229792 0.80 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL28927929 0.79 TDP1 (0.68) TDP1TSHRGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909171-A Solid catalyst component for olefin polymerization reaction, preparation method and application thereof 中国石油化工股份有限公司 2024-11-08 CN claimed
CN-110511141-B Synthesis method of valproyl urea 上海凌凯医药科技有限公司 2022-04-29 CN claimed
CN-110511141-B Synthesis method of valproyl urea 上海凌凯医药科技有限公司 2022-04-29 CN disclosed
CN-110511141-B Synthesis method of valproyl urea 上海凌凯医药科技有限公司 2022-04-29 CN disclosed
CN-109678996-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109678998-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109679006-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-109679004-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed