SCHEMBL10144209

SCHEMBL10144209

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNC(=O)Nc3ccccc3)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.39
▸ SIRT2 Q8IXJ6 10/20 0.39
▸ SIRT1 Q96EB6 9/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.38
▸ SIRT5 Q9NXA8 2/20 0.38
▸ FPR2 P25090 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
SCHEMBL10144208 0.93 TLR2 (0.40) TLR2SIRT2SIRT1TPSAB1SIRT5
SCHEMBL10144194 0.91 MDM2 (0.39) TLR2TPSAB1SIRT5
SCHEMBL10144213 0.91 TLR2 (0.40) TLR2TPSAB1
SCHEMBL10144324 0.90 TLR2 (0.44) TLR2TPSAB1
SCHEMBL10144210 0.89 MDM2 (0.40) TLR2TPSAB1SIRT5
SCHEMBL10144413 0.85 CA1 (0.40) TLR2SIRT1TPSAB1SIRT5
SCHEMBL10143385 0.84 MDM2 (0.38) TLR2TPSAB1SIRT5
SCHEMBL10143383 0.84 TLR2 (0.40) TLR2SIRT2SIRT1TPSAB1SIRT5
SCHEMBL10143509 0.82 CACNA1B (0.39) TLR2TPSAB1SIRT5
SCHEMBL10144432 0.82 CA1 (0.45) TLR2TPSAB1SIRT5

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
Send feedback