SCHEMBL10144112

SCHEMBL10144112

Cc1cc(=O)n(CC(=O)OC(C)(C)C)c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ HDAC4 P56524 3/20 0.36
▸ MEF2D Q14814 3/20 0.36
▸ REN P00797 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34

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
SCHEMBL10143501 0.91 TLR2 (0.41) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10144186 0.91 TLR2 (0.44) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10143521 0.91 TLR2 (0.43) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10143779 0.90 TLR2 (0.45) TLR2MDM2HDAC4MEF2DREN
SCHEMBL10144161 0.89 TLR2 (0.41) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10143416 0.89 TLR2 (0.41) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10144113 0.87 MDM2 (0.41) TLR2MDM2
SCHEMBL10143778 0.87 MDM2 (0.41) TLR2MDM2HDAC4
SCHEMBL10144195 0.86 TLR2 (0.44) TLR2MDM2HDAC4MEF2DEP300
SCHEMBL10143403 0.86 TLR2 (0.42) TLR2MDM2HDAC4MEF2DEP300

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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