SCHEMBL28397255

SCHEMBL28397255

CCC(CC)(/C(=C/C(=O)O)C(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL25429424 0.77 KEAP1 (0.36) CHRM2CHRM1
SCHEMBL28397033 0.77 EPHX1 (0.33)
SCHEMBL704502 0.76 HTT (0.33)
SCHEMBL12393616 0.75 KEAP1 (0.37)
SCHEMBL5686257 0.73 KEAP1 (0.33) CHRM2CHRM1SLC6A3KCNH2
SCHEMBL5197125 0.72 EPHX1 (0.38)
SCHEMBL29169850 0.71 CHRM2 (0.35) CHRM2CHRM1KCNH2
SCHEMBL11453750 0.71 CYP2D6 (0.34) CHRM2CHRM1
SCHEMBL27334904 0.70 FFAR3 (0.31) CHRM1
SCHEMBL13269016 0.70 CYP2C19 (0.31) CHRM2CHRM1SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494056-B Curable composition comprising HXNBR latex and multifunctional epoxide 阿朗新科德国有限责任公司 2021-11-12 CN disclosed
CN-113166280-A Method for producing PEG acrylate-HNBR copolymer 阿朗新科德国有限责任公司 2021-07-23 CN disclosed
CN-110770951-A Cathode of all-solid-state lithium ion battery and all-solid-state lithium ion battery comprising same 阿朗新科德国有限责任公司 2020-02-07 CN disclosed