SCHEMBL16489720

SCHEMBL16489720

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCOCCOCCOCCC(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.60
▸ PRSS1 P07477 2/20 0.59
▸ PRSS2 P07478 2/20 0.59
▸ PRSS3 P35030 2/20 0.59
▸ TPSAB1 Q15661 2/20 0.59
▸ F2 P00734 1/20 0.59
▸ FOLH1 Q04609 7/20 0.58
▸ TDP1 Q9NUW8 2/20 0.53
▸ HSP90AB1 P08238 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ DPP8 Q6V1X1 2/20 0.50
▸ DPP9 Q86TI2 2/20 0.50
▸ NOXO1 Q8NFA2 1/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ PLG P00747 1/20 0.49

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
SCHEMBL31661152 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL31510307 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL31510305 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL24637661 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10191035 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL23077610 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12937922 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL19543682 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL15315671 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL31225700 0.90 F2 (0.60) PKMPRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9645140-B2 Labeling and detection of post translationally modified proteins Life Technologies Corporation (US) 2017-05-09 — — US disclosed
US-9645140-B2 Labeling and detection of post translationally modified proteins Life Technologies Corporation (US) 2017-05-09 — — US disclosed
US-20150051096-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS Life Technologies Corporation 2015-02-19 — — US disclosed
US-20150051096-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS Life Technologies Corporation 2015-02-19 — — US disclosed
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