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SCHEMBL10144413

SCHEMBL10144413

CCc1cc(=O)[nH]c2cc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TLR2 O60603 5/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ TLR1 Q15399 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ HTRA1 Q92743 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL10143383 0.96 TLR2 (0.40) CA1CA2TLR2MDM2TLR1
SCHEMBL10144194 0.94 MDM2 (0.39) CA1CA2TLR2MDM2TLR1
SCHEMBL10144210 0.92 MDM2 (0.40) CA1CA2TLR2MDM2TLR1
SCHEMBL10143385 0.92 MDM2 (0.38) CA1CA2TLR2MDM2TLR1
SCHEMBL10144208 0.87 TLR2 (0.40) TLR2TPSAB1SIRT5SIRT1HDAC4
SCHEMBL10144432 0.86 CA1 (0.45) CA1CA2TLR2MDM2TLR1
SCHEMBL10143509 0.86 CACNA1B (0.39) CA1CA2TLR2MDM2TLR1
SCHEMBL10144209 0.85 TLR2 (0.39) TLR2TPSAB1SIRT5SIRT1
SCHEMBL10144130 0.85 CA1 (0.39) CA1CA2TLR2MDM2TLR1
SCHEMBL10144189 0.85 CA1 (0.43) CA1CA2TLR2MDM2TLR1

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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