SCHEMBL10144457

SCHEMBL10144457

Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC3CCCCC3)NC(=O)NCCC3CNc4ccccc43)ccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.34
▸ PSMB1 P20618 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB9 P28065 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ HTRA1 Q92743 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10144454 0.93 CA1 (0.36) CA1CA2PARP1SIRT5PSMB1
SCHEMBL10143784 0.93 CA1 (0.37) CA1CA2PARP1SIRT5HTRA1
SCHEMBL10144436 0.90 CPB2 (0.40) —
SCHEMBL10143783 0.86 CA1 (0.35) CA1CA2PARP1SIRT5PSMB1
SCHEMBL10144194 0.83 MDM2 (0.39) CA1CA2PARP1SIRT5HTRA1
SCHEMBL10144152 0.83 MDM2 (0.38) CA1CA2PARP1SIRT5HDAC4
SCHEMBL10143365 0.83 AR (0.35) FPR2
SCHEMBL10143364 0.82 CTSL (0.33) SIRT5HDAC4HDAC1FPR2
SCHEMBL10144442 0.82 CA1 (0.45) CA1CA2PARP1SIRT5HDAC4
SCHEMBL10144210 0.81 MDM2 (0.40) CA1CA2PARP1SIRT5HDAC4

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
Send feedback