SCHEMBL28660549

SCHEMBL28660549

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)OCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21)OC(=O)CCCCCCCCCCCCCCCCC.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.59
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TPSAB1 Q15661 1/20 0.56
▸ CNR1 P21554 3/20 0.55
▸ PLCD1 P51178 1/20 0.48
▸ FOLH1 Q04609 3/20 0.46
▸ PKM P14618 2/20 0.45
▸ NAPEPLD Q6IQ20 1/20 0.45
▸ FABP3 P05413 1/20 0.43

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
SCHEMBL10140249 0.94 CNR2 (0.66) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL30165784 0.94 CNR2 (0.66) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL12989865 0.92 CNR2 (0.68) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL16419858 0.88 CNR2 (0.59) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL29688513 0.87 CNR2 (0.78) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL12582940 0.87 CNR2 (0.66) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL15746589 0.86 CNR1 (0.64) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL29758823 0.85 CNR2 (0.64) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL29910364 0.84 CNR2 (0.73) CNR2F2PRSS1PRSS2PRSS3
SCHEMBL29700479 0.84 CNR2 (0.67) CNR2F2PRSS1PRSS2PRSS3

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-113583954-B In-situ labeling and rapid separation method for circulating extracellular vesicles 珈泌生物科技(武汉)有限责任公司 2023-11-28 — — CN disclosed
CN-113583954-A Circulating extracellular vesicle in-situ labeling and rapid separation method 武汉大学 2021-11-02 — — CN disclosed
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