SCHEMBL10143364

SCHEMBL10143364

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNBI)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCCC3CNc4ccccc43)ccc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ HDAC4 P56524 4/20 0.33
▸ MEF2D Q14814 4/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.32
▸ FPR2 P25090 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ SIRT1 Q96EB6 6/20 0.31
▸ SIRT2 Q8IXJ6 6/20 0.31
▸ F2R P25116 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL10143784 0.90 CA1 (0.37) HDAC4SIRT5HDAC1
SCHEMBL10143783 0.84 CA1 (0.35) HDAC4SIRT5HDAC1
SCHEMBL10143366 0.83 AR (0.37) HDAC4MEF2DEP300
SCHEMBL10143365 0.83 AR (0.35) FPR2
SCHEMBL10144457 0.82 CA1 (0.37) HDAC4SIRT5FPR2HDAC1
SCHEMBL10144436 0.82 CPB2 (0.40) —
SCHEMBL10144208 0.78 TLR2 (0.40) HDAC4MEF2DEP300SIRT5SIRT1
SCHEMBL10144324 0.77 TLR2 (0.44) HDAC4MEF2DEP300
SCHEMBL10144454 0.76 CA1 (0.36) HDAC4SIRT5HDAC1
SCHEMBL10144209 0.76 TLR2 (0.39) SIRT5FPR2SIRT1SIRT2

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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