SCHEMBL10143401

SCHEMBL10143401

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.46
▸ PTPN1 P18031 7/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ DPP8 Q6V1X1 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
SCHEMBL10144196 0.91 TLR2 (0.43) TLR2PTPN1ITGB3ITGA2BMMP3
SCHEMBL10143498 0.90 MDM2 (0.41) —
SCHEMBL10143497 0.89 TLR2 (0.42) TLR2PTPN1HDAC1HDAC2
SCHEMBL10143502 0.89 TLR2 (0.45) TLR2PTPN1MMP3HDAC4
SCHEMBL10143499 0.88 TLR2 (0.45) TLR2PTPN1HDAC4
SCHEMBL10144445 0.87 TLR2 (0.46) TLR2PTPN1DPP8
SCHEMBL10144324 0.86 TLR2 (0.44) TLR2PTPN1HDAC4
SCHEMBL10143538 0.85 TLR2 (0.54) TLR2PTPN1MMP3HDAC1HDAC2
SCHEMBL10144428 0.85 TLR2 (0.42) TLR2PTPN1HDAC4
SCHEMBL10144408 0.85 TLR2 (0.47) TLR2PTPN1

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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