SCHEMBL29243279

SCHEMBL29243279

CCCCCCCCC(CCCCCC)Cc1csc(C=O)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
CSNK1E P49674 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
SCHEMBL820218 0.88 TSHR (0.36) CA2
SCHEMBL29703309 0.80 LMNA (0.38) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL15785191 0.78 LMNA (0.37) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL17754978 0.78 LMNA (0.37) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL19765258 0.78 LMNA (0.37) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL18195185 0.78 LMNA (0.37) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL18750444 0.77 LMNA (0.36) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL31189960 0.77 LMNA (0.36) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL32679416 0.77 LMNA (0.36) CA2LMNAPRSS1PRSS2PRSS3
SCHEMBL31189959 0.77 LMNA (0.36) CA2LMNAPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063744-B Conjugated polymer containing thiazole structure, and preparation method and application thereof 广东工业大学 2024-09-10 CN disclosed
CN-118063744-A Conjugated polymer containing thiazole structure, and preparation method and application thereof 广东工业大学 2024-05-24 CN disclosed