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SCHEMBL10144210

SCHEMBL10144210

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.40
▸ TLR2 O60603 5/20 0.39
▸ TPSAB1 Q15661 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TLR1 Q15399 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CTSS P25774 3/20 0.35
▸ CTSK P43235 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL10144194 0.98 MDM2 (0.39) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10144413 0.92 CA1 (0.40) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10144213 0.92 TLR2 (0.40) TLR2TPSAB1HDAC4
SCHEMBL10143385 0.91 MDM2 (0.38) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10144208 0.91 TLR2 (0.40) TLR2TPSAB1HDAC4SIRT5
SCHEMBL10143383 0.91 TLR2 (0.40) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10144432 0.90 CA1 (0.45) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10143509 0.89 CACNA1B (0.39) MDM2TLR2TPSAB1CA1CA2
SCHEMBL10144209 0.89 TLR2 (0.39) TLR2TPSAB1SIRT5
SCHEMBL10144130 0.89 CA1 (0.39) MDM2TLR2TPSAB1CA1CA2

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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