SCHEMBL10143502

SCHEMBL10143502

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.45
▸ PTPN1 P18031 8/20 0.44
▸ MMP3 P08254 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ MEF2D Q14814 1/20 0.37

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
SCHEMBL10143499 0.92 TLR2 (0.45) TLR2PTPN1TPSAB1HDAC4EP300
SCHEMBL10143500 0.89 SIRT5 (0.42) TLR2PTPN1GRB2SIRT5TPSAB1
SCHEMBL10143401 0.89 TLR2 (0.46) TLR2PTPN1MMP3HDAC4
SCHEMBL10144324 0.89 TLR2 (0.44) TLR2PTPN1TPSAB1HDAC4EP300
SCHEMBL10144428 0.88 TLR2 (0.42) TLR2PTPN1GRB2TPSAB1HDAC4
SCHEMBL10143497 0.88 TLR2 (0.42) TLR2PTPN1GRB2TPSAB1
SCHEMBL10144426 0.88 TLR2 (0.42) TLR2PTPN1TPSAB1HDAC4MEF2D
SCHEMBL10143518 0.87 TLR2 (0.43) TLR2PTPN1GRB2TPSAB1HDAC4
SCHEMBL10144446 0.86 TLR2 (0.43) TLR2PTPN1TPSAB1HDAC4EP300
SCHEMBL10144432 0.82 CA1 (0.45) TLR2SIRT5TPSAB1HDAC4

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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