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SCHEMBL10144131

SCHEMBL10144131

CCCn1c(=O)cc(C)c2ccc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.41
▸ TLR2 O60603 5/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HTRA1 Q92743 1/20 0.36
▸ SIRT1 Q96EB6 4/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ REN P00797 2/20 0.35
▸ TPSAB1 Q15661 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
SCHEMBL10144410 0.97 MDM2 (0.41) MDM2TLR2TLR1CA1CA2
SCHEMBL10144113 0.95 MDM2 (0.41) MDM2TLR2TLR1CA1CA2
SCHEMBL10143778 0.94 MDM2 (0.41) MDM2TLR2TLR1CA1CA2
SCHEMBL10143766 0.92 MDM2 (0.40) MDM2TLR2TLR1CA1CA2
SCHEMBL10143411 0.92 MDM2 (0.40) MDM2TLR2TLR1CA1CA2
SCHEMBL10143779 0.90 TLR2 (0.45) MDM2TLR2REN
SCHEMBL10144157 0.90 MDM2 (0.40) MDM2TLR2TLR1CA1CA2
SCHEMBL10144194 0.87 MDM2 (0.39) MDM2TLR2TLR1CA1CA2
SCHEMBL10144189 0.87 CA1 (0.43) MDM2TLR2TLR1CA1CA2
SCHEMBL10144112 0.86 TLR2 (0.40) MDM2TLR2REN

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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