SCHEMBL30088971

SCHEMBL30088971

C=CC(C)C(COC(C)=O)OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALOX15 P16050 1/20 0.36
ABCB1 P08183 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7592282 0.85 TDP1 (0.58) TDP1TSHRMAPTSMN1; SMN2USP2
SCHEMBL8723281 0.81 TDP1 (0.75) TDP1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL12846719 0.81 TDP1 (0.75) TDP1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL7150206 0.81 TDP1 (0.75) TDP1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL7154161 0.79 TDP1 (0.66) TDP1TSHRMAPTSMN1; SMN2USP2
SCHEMBL16125044 0.78 TSHR (0.42) TDP1TSHRMAPTSMN1; SMN2USP2
SCHEMBL93558 0.78 TDP1 (0.48) TDP1TSHRMAPTSMN1; SMN2USP2
SCHEMBL93559 0.78 TDP1 (0.48) TDP1TSHRMAPTSMN1; SMN2USP2
SCHEMBL630157 0.75
SCHEMBL17277235 0.75 TDP1 (0.67) TDP1TSHRLMNAPOLBMAPK1

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-115515989-B Modified ethylene-vinyl alcohol resin and gas barrier material 三菱化学株式会社 2025-05-27 CN disclosed
CN-118804948-A Modified ethylene-vinyl alcohol copolymer composition, pellet, multilayer structure, method for producing modified ethylene-vinyl alcohol copolymer composition, and method for producing multilayer structure 三菱化学株式会社 2024-10-18 CN disclosed
CN-118265752-A Composition containing inorganic/organic hybrid compound 信越化学工业株式会社 2024-06-28 CN disclosed
CN-118043363-A Ethylene-vinyl alcohol copolymer and process for producing ethylene-vinyl alcohol copolymer 三菱化学株式会社 2024-05-14 CN disclosed
CN-115515989-A Modified ethylene-vinyl alcohol resin and gas barrier material 三菱化学株式会社 2022-12-23 CN disclosed