SCHEMBL30165784

SCHEMBL30165784

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.66
▸ CNR1 P21554 3/20 0.61
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ PLCD1 P51178 1/20 0.54
▸ NAPEPLD Q6IQ20 1/20 0.51
▸ FABP3 P05413 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ HLCS P50747 2/20 0.46
▸ LPAR1 Q92633 2/20 0.46
▸ LPAR3 Q9UBY5 2/20 0.46
▸ SMPD1 P17405 1/20 0.46
▸ HPSE Q9Y251 1/20 0.46
▸ FOLH1 Q04609 2/20 0.45
▸ ENPP2 Q13822 1/20 0.44

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 1.00 CNR2 (0.66) CNR2CNR1F2PRSS1PRSS2
SCHEMBL12989865 0.99 CNR2 (0.68) CNR2CNR1F2PRSS1PRSS2
SCHEMBL16419858 0.94 CNR2 (0.59) CNR2CNR1F2PRSS1PRSS2
SCHEMBL28660549 0.94 CNR2 (0.59) CNR2CNR1F2PRSS1PRSS2
SCHEMBL29688513 0.94 CNR2 (0.78) CNR2CNR1F2PRSS1PRSS2
SCHEMBL12582940 0.93 CNR2 (0.66) CNR2CNR1F2PRSS1PRSS2
SCHEMBL15746589 0.92 CNR1 (0.64) CNR2CNR1F2PRSS1PRSS2
SCHEMBL29758823 0.91 CNR2 (0.64) CNR2CNR1F2PRSS1PRSS2
SCHEMBL29910364 0.90 CNR2 (0.73) CNR2CNR1F2PRSS1PRSS2
SCHEMBL29700479 0.90 CNR2 (0.67) CNR2CNR1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127711-A1 METHOD OF DETECTING AN ANALYTE IN A MEDIUM COMPRISING A LIGHT SCATTERING CONSTITUENT King's College London (GB) 2023-02-08 — — EP disclosed
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