SCHEMBL10143568

SCHEMBL10143568

C=CCn1c(=O)cc(C)c2ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.43
▸ PTPN1 P18031 6/20 0.39
▸ DPP8 Q6V1X1 1/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ TNF P01375 1/20 0.35

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
SCHEMBL10144408 0.91 TLR2 (0.47) TLR2PTPN1
SCHEMBL10144449 0.91 TLR2 (0.44) TLR2PTPN1DPP8MDM2
SCHEMBL10143408 0.90 MDM2 (0.41) TLR2MDM2
SCHEMBL10144450 0.89 TLR2 (0.43) TLR2PTPN1DPP8MDM2
SCHEMBL10143416 0.87 TLR2 (0.41) TLR2PTPN1MDM2
SCHEMBL10143401 0.85 TLR2 (0.46) TLR2PTPN1DPP8MMP3HDAC1
SCHEMBL10144109 0.83 MDM2 (0.42) TLR2MDM2
SCHEMBL10143538 0.82 TLR2 (0.54) TLR2PTPN1MMP3HDAC1HDAC2
SCHEMBL10143586 0.82 MDM2 (0.42) MDM2

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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