SCHEMBL10144422

SCHEMBL10144422

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]3CCCN3C(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ PRCP P42785 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL10144420 0.89 NTMT1 (0.45) ITGB1ITGA4TLR2PRCPNPSR1
SCHEMBL10143583 0.89 TLR2 (0.38) CA1CA2TLR2TLR1MDM2
SCHEMBL10144432 0.88 CA1 (0.45) CA1CA2TLR2TLR1MDM2
SCHEMBL10143496 0.85 CA1 (0.42) CA1CA2TLR2TLR1MDM2
SCHEMBL10144130 0.84 CA1 (0.39) CA1CA2TLR2TLR1MDM2
SCHEMBL10144194 0.84 MDM2 (0.39) CA1CA2TLR2TLR1MDM2
SCHEMBL10143500 0.83 SIRT5 (0.42) CA1CA2TLR2TLR1MDM2
SCHEMBL10143509 0.83 CACNA1B (0.39) CA1CA2TLR2TLR1MDM2
SCHEMBL10144210 0.82 MDM2 (0.40) CA1CA2TLR2TLR1MDM2
SCHEMBL30313463 0.82 TLR2 (0.47) TLR2TLR1PRCPMDM2ITGB3

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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