SCHEMBL10144432

SCHEMBL10144432

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ TLR2 O60603 3/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40

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
SCHEMBL10143496 0.95 CA1 (0.42) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10143500 0.95 SIRT5 (0.42) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10144194 0.92 MDM2 (0.39) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10143498 0.92 MDM2 (0.41) CA1CA2MDM2SIRT5TDP1
SCHEMBL10144419 0.92 MDM2 (0.41) CA1CA2MDM2TPSAB1TDP1
SCHEMBL10143543 0.91 CTSS (0.40) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10144130 0.91 CA1 (0.39) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10144152 0.90 MDM2 (0.38) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10143509 0.90 CACNA1B (0.39) CA1CA2MDM2SIRT5TPSAB1
SCHEMBL10144210 0.90 MDM2 (0.40) CA1CA2MDM2SIRT5TPSAB1

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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