SCHEMBL10144446

SCHEMBL10144446

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C3CCCCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.43
▸ HDAC4 P56524 2/20 0.37
▸ MEF2D Q14814 2/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.35
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ GALR1 P47211 1/20 0.34
▸ MDM2 Q00987 2/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL10144324 0.90 TLR2 (0.44) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10144130 0.89 CA1 (0.39) TLR2HDAC4TPSAB1MDM2
SCHEMBL10143518 0.89 TLR2 (0.43) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143499 0.88 TLR2 (0.45) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143502 0.86 TLR2 (0.45) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143401 0.84 TLR2 (0.46) TLR2HDAC4PTPN1
SCHEMBL10143497 0.83 TLR2 (0.42) TLR2TPSAB1MDM2PTPN1
SCHEMBL10144428 0.83 TLR2 (0.42) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10143384 0.83 TLR2 (0.37) TLR2HDAC4MEF2DEP300TPSAB1
SCHEMBL10144426 0.83 TLR2 (0.42) TLR2HDAC4MEF2DTPSAB1MDM2

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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