SCHEMBL8973164

SCHEMBL8973164

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL375453 0.83 SLC22A6 (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL6844385 0.81 TSHR (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL5415893 0.79 SLC6A2 (0.32) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL27291518 0.78 TSHR (0.32) TSHR
SCHEMBL28241155 0.78
SCHEMBL27839156 0.78 HCAR2 (0.36) MEN1CYP2D6TSHRKMT2ASMN1; SMN2
SCHEMBL8972945 0.77 TSHR (0.40) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL2017864 0.77 SMN1; SMN2 (0.46) SLC22A6TDP1SMN1; SMN2
SCHEMBL28076063 0.77 TSHR (0.33) TSHR
SCHEMBL27524461 0.76 ALOX15 (0.35) SLC6A2SLC6A4BLMSLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897428-A Polyester plasticizer, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2024-04-16 CN disclosed
CN-104549309-B Supported ethylidene diacetate catalyst 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-104549501-B Ethylidene diacetate method vinyl acetate catalyst and vinyl acetate synthesis method 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-104549442-B Vinyl acetate catalyst and method for synthesizing vinyl acetate by use of ethylidene acetate 中国石油化工股份有限公司 2017-04-19 CN disclosed
CN-104549523-B Catalyst for ethylidene diacetate synthesis 中国石油化工股份有限公司 2017-03-15 CN disclosed
CN-104549262-B Ethylidene diacetate catalyst 中国石油化工股份有限公司 2017-02-15 CN disclosed
CN-104549258-B Ethylidene diacetate catalyst and preparation method thereof 中国石油化工股份有限公司 2017-02-15 CN disclosed
CN-104549265-B Catalyst for synthesizing ethylidene diacetate and application of catalyst 中国石油化工股份有限公司 2017-02-15 CN disclosed
US-5571882-A CONTACT LENSES CIBA-GEIBY CORPORATION (US) 1996-11-05 US disclosed
US-5488102-A MONOMERS FOR POLYMERS FOR HYDROGELS FOR CONTACT LENSES AND SURFACTANTS CIBA GEIGY CORPORATION (US) 1996-01-30 US disclosed