SCHEMBL10144449

SCHEMBL10144449

Cc1cc(=O)n(CC2CC2)c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.44
▸ PTPN1 P18031 6/20 0.39
▸ DPP8 Q6V1X1 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ MEF2D Q14814 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL10144445 0.93 TLR2 (0.46) TLR2PTPN1DPP8MDM2
SCHEMBL10144450 0.92 TLR2 (0.43) TLR2PTPN1DPP8ACEITGB3
SCHEMBL10144408 0.91 TLR2 (0.47) TLR2PTPN1
SCHEMBL10143568 0.91 TLR2 (0.43) TLR2PTPN1DPP8MDM2
SCHEMBL10143521 0.89 TLR2 (0.43) TLR2PTPN1HDAC4MEF2DMDM2
SCHEMBL10143401 0.85 TLR2 (0.46) TLR2PTPN1DPP8HDAC4ITGB3
SCHEMBL10144109 0.83 MDM2 (0.42) TLR2MDM2
SCHEMBL10144186 0.83 TLR2 (0.44) TLR2HDAC4MEF2DMDM2
SCHEMBL10143779 0.82 TLR2 (0.45) TLR2HDAC4MEF2DMDM2
SCHEMBL10143538 0.82 TLR2 (0.54) TLR2PTPN1HDAC4

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
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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