SCHEMBL7602174

SCHEMBL7602174

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
EPHX2 P34913 2/20 0.42
GRIA1 P42261 1/20 0.42
CHRNA1 P02708 4/20 0.42
CHRNG P07510 4/20 0.42
CHRNB1 P11230 4/20 0.42
CHRND Q07001 4/20 0.42
TRPV1 Q8NER1 1/20 0.41
NOD1 Q9Y239 1/20 0.41
TYMS P04818 1/20 0.40
GART P22102 1/20 0.40
ATIC P31939 1/20 0.40
FOLH1 Q04609 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 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
SCHEMBL7602169 0.93 ALB (0.47) PTPN2PTPN1EPHX2
SCHEMBL7602117 0.84 ALB (0.53)
SCHEMBL236526 0.79 KMT2A (0.58)
SCHEMBL236527 0.79 KMT2A (0.58)
SCHEMBL6249941 0.79 KMT2A (0.58)
SCHEMBL6249937 0.79 KMT2A (0.58)
SCHEMBL3340721 0.78 KMT2A (0.57)
SCHEMBL935547 0.78 KMT2A (0.57)
SCHEMBL3340707 0.78 KMT2A (0.57)
Phenylacetic Acid SCHEMBL6567966 0.76 KMT2A (0.54) FOLH1

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-2012062803-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2012-05-18 WO disclosed