SCHEMBL14478149

SCHEMBL14478149

NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APC P25054 3/20 0.54
▸ KEAP1 Q14145 3/20 0.49
▸ QRFPR Q96P65 3/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ TACR3 P29371 1/20 0.48
▸ MME P08473 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP8 P22894 1/20 0.47

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
SCHEMBL14478103 0.95 APC (0.60) APC
SCHEMBL14478105 0.85 OPRD1 (0.57) APC
SCHEMBL14478152 0.84 APC (0.51) APCMMENAALAD2
SCHEMBL31031528 0.84 NAALAD2 (0.55) NAALAD2
SCHEMBL14478026 0.84 LCK (0.53) APCKEAP1PTPN1MMP1
SCHEMBL14478087 0.83 APC (0.43) APCKEAP1QRFPRPTPN1MME
SCHEMBL14478093 0.83 APC (0.44) APCKEAP1QRFPRMME
SCHEMBL3634638 0.82 OPRD1 (0.51) APCNAALAD2MMP1
SCHEMBL2735762 0.82 APC (0.52) APCKEAP1QRFPRPTPN1MMP1
SCHEMBL26464896 0.81 KEAP1 (0.53) KEAP1PTPN1

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-2013001297-A1 BINDING INHIBITORS OF THE BETA.TRANSDUCIN REPEAT - CONTAINING PROTEIN ITI SCOTLAND LIMITED (GB) 2013-01-03 — — WO disclosed
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