SCHEMBL10143583

SCHEMBL10143583

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]3CC4CCCCC4N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL10143384 0.90 TLR2 (0.37) TLR2TPSAB1HDAC1HDAC4HDAC3
SCHEMBL10144422 0.89 CA1 (0.39) TLR2TLR1CA1CA2MDM2
SCHEMBL10144432 0.85 CA1 (0.45) TLR2TLR1CA1CA2MDM2
SCHEMBL10144130 0.85 CA1 (0.39) TLR2TLR1CA1CA2MDM2
SCHEMBL10144194 0.83 MDM2 (0.39) TLR2TLR1CA1CA2MDM2
SCHEMBL10143496 0.83 CA1 (0.42) TLR2TLR1CA1CA2MDM2
SCHEMBL10143509 0.82 CACNA1B (0.39) TLR2TLR1CA1CA2MDM2
SCHEMBL10144210 0.81 MDM2 (0.40) TLR2TLR1CA1CA2MDM2
SCHEMBL10143500 0.81 SIRT5 (0.42) TLR2TLR1CA1CA2MDM2
SCHEMBL10144419 0.79 MDM2 (0.41) CA1CA2MDM2TPSAB1TDP1

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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