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SCHEMBL10143383

SCHEMBL10143383

CCCc1cc(=O)[nH]c2cc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ TLR1 Q15399 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.36
▸ SIRT1 Q96EB6 4/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ HTRA1 Q92743 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
SCHEMBL10144413 0.96 CA1 (0.40) TLR2CA1CA2MDM2TLR1
SCHEMBL10144194 0.93 MDM2 (0.39) TLR2CA1CA2MDM2TLR1
SCHEMBL10144210 0.91 MDM2 (0.40) TLR2CA1CA2MDM2TLR1
SCHEMBL10143385 0.90 MDM2 (0.38) TLR2CA1CA2MDM2TLR1
SCHEMBL10144208 0.85 TLR2 (0.40) TLR2TPSAB1SIRT1SIRT2SIRT5
SCHEMBL10144432 0.84 CA1 (0.45) TLR2CA1CA2MDM2TLR1
SCHEMBL10143509 0.84 CACNA1B (0.39) TLR2CA1CA2MDM2TLR1
SCHEMBL10144130 0.84 CA1 (0.39) TLR2CA1CA2MDM2TLR1
SCHEMBL10144209 0.84 TLR2 (0.39) TLR2TPSAB1SIRT1SIRT2SIRT5
SCHEMBL10144189 0.83 CA1 (0.43) TLR2CA1CA2MDM2TLR1

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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