Sugi Predict

Sugi Predict / Compounds / SCHEMBL10144186

SCHEMBL10144186

SCHEMBL10144186

CCn1c(=O)cc(C)c2ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.44
▸ HDAC4 P56524 5/20 0.38
▸ MEF2D Q14814 5/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ CPB2 Q96IY4 3/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ FDFT1 P37268 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
SCHEMBL10143779 0.95 TLR2 (0.45) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10143521 0.94 TLR2 (0.43) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10143501 0.93 TLR2 (0.41) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10144161 0.93 TLR2 (0.41) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10143416 0.93 TLR2 (0.41) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10144195 0.91 TLR2 (0.44) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10144112 0.91 TLR2 (0.40) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10143403 0.90 TLR2 (0.42) TLR2HDAC4MEF2DEP300CPB2
SCHEMBL10144113 0.90 MDM2 (0.41) TLR2MDM2
SCHEMBL10144324 0.87 TLR2 (0.44) TLR2HDAC4MEF2DEP300CPB2

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
Send feedback