SCHEMBL14478086

SCHEMBL14478086

NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.43
▸ FOLH1 Q04609 3/20 0.43
▸ MMEL1 Q495T6 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ KEAP1 Q14145 4/20 0.40
▸ APC P25054 3/20 0.40
▸ F2RL1 P55085 1/20 0.40
▸ CTNNB1 P35222 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL14478087 0.88 APC (0.43) MMEFOLH1PTPN1KEAP1APC
SCHEMBL14478093 0.83 APC (0.44) MMEFOLH1KEAP1APCCTNNB1
SCHEMBL14478152 0.83 APC (0.51) MMEFOLH1APC
SCHEMBL14478149 0.78 APC (0.54) MMEPTPN1KEAP1APC
SCHEMBL14478126 0.77 APC (0.42) FOLH1PTPN1KEAP1APCCTSS
SCHEMBL14478103 0.76 APC (0.60) APC
SCHEMBL14478119 0.75 CCKBR (0.57) —
SCHEMBL6804098 0.73 PTPN1 (0.65) FOLH1PTPN1
SCHEMBL14478092 0.71 CCKBR (0.47) KEAP1CTNNB1
SCHEMBL31098846 0.71 FKBP4 (0.51) MME

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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