SCHEMBL10144130

SCHEMBL10144130

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C3CCCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ TLR2 O60603 3/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ NPSR1 Q6W5P4 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL10144432 0.91 CA1 (0.45) CA1CA2MDM2TLR2TLR1
SCHEMBL10144194 0.91 MDM2 (0.39) CA1CA2MDM2TLR2TLR1
SCHEMBL10143509 0.89 CACNA1B (0.39) CA1CA2MDM2TLR2TLR1
SCHEMBL10143496 0.89 CA1 (0.42) CA1CA2MDM2TLR2TLR1
SCHEMBL10144446 0.89 TLR2 (0.43) MDM2TLR2TPSAB1HDAC4
SCHEMBL10144210 0.89 MDM2 (0.40) CA1CA2MDM2TLR2TLR1
SCHEMBL10143500 0.88 SIRT5 (0.42) CA1CA2MDM2TLR2TLR1
SCHEMBL10144413 0.85 CA1 (0.40) CA1CA2MDM2TLR2TLR1
SCHEMBL10143498 0.85 MDM2 (0.41) CA1CA2MDM2TDP1SIRT5
SCHEMBL10144419 0.85 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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