SCHEMBL10144213

SCHEMBL10144213

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.40
▸ TPSAB1 Q15661 1/20 0.40
▸ F2R P25116 1/20 0.36
▸ PTPN1 P18031 4/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ MEF2D Q14814 2/20 0.36
▸ EP300 Q09472 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL10144208 0.93 TLR2 (0.40) TLR2TPSAB1HDAC4MEF2DEP300
SCHEMBL10144210 0.92 MDM2 (0.40) TLR2TPSAB1HDAC4
SCHEMBL10144324 0.92 TLR2 (0.44) TLR2TPSAB1PTPN1HDAC4MEF2D
SCHEMBL10144209 0.91 TLR2 (0.39) TLR2TPSAB1
SCHEMBL10144194 0.90 MDM2 (0.39) TLR2TPSAB1HDAC4
SCHEMBL10144413 0.84 CA1 (0.40) TLR2TPSAB1PTPN1HDAC4
SCHEMBL10143385 0.83 MDM2 (0.38) TLR2TPSAB1HDAC4KMT2A
SCHEMBL10143383 0.83 TLR2 (0.40) TLR2TPSAB1
SCHEMBL10143518 0.82 TLR2 (0.43) TLR2TPSAB1PTPN1HDAC4MEF2D
SCHEMBL10144446 0.82 TLR2 (0.43) TLR2TPSAB1PTPN1HDAC4MEF2D

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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