SCHEMBL19712232

SCHEMBL19712232

CCC(C)C(C)C1=NC(C(=O)NC(CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)NC(C(=O)NC2CCCCNC(=O)[C@@H](CC(=O)O)NC(=O)C(Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)[C@@H](CCCN)NC2=O)C(C)CC)CS1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.91
LCK P06239 1/20 0.91
HKDC1 Q2TB90 1/20 0.81
NPY1R P25929 2/20 0.49
NPY2R P49146 2/20 0.49
NPY4R P50391 2/20 0.49
NPY5R Q15761 2/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
VEGFA P15692 6/20 0.46
CRHR1 P34998 1/20 0.46
FLT1 P17948 1/20 0.45
BECN1 Q14457 3/20 0.44
TCF4 P15884 1/20 0.44
CTNNB1 P35222 1/20 0.44
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43

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
SCHEMBL25547820 0.97 EGFR (0.97) EGFRLCKHKDC1NPY1RNPY2R
Bacitracin SCHEMBL29603422 0.95 EGFR (1.00) EGFRLCKHKDC1NPY1RNPY2R
Bacitracin SCHEMBL20385900 0.95 EGFR (1.00) EGFRLCKHKDC1NPY1RNPY2R
Bacitracin SCHEMBL30071019 0.90 HKDC1 (1.00) EGFRLCKHKDC1NPY1RNPY2R
SCHEMBL20375805 0.89 EGFR (0.78) EGFRLCKHKDC1NPY1RNPY2R
SCHEMBL1024602 0.88 EGFR (0.86) EGFRLCKHKDC1NPY1RNPY2R
SCHEMBL2274 0.88 EGFR (0.86) EGFRLCKHKDC1NPY1RNPY2R
SCHEMBL4352461 0.88 EGFR (0.86) EGFRLCKHKDC1NPY1RNPY2R
Bacitracin SCHEMBL12652843 0.87 EGFR (0.85) EGFRLCKHKDC1NPY1RNPY2R
SCHEMBL29542898 0.86 EGFR (0.76) EGFRLCKHKDC1NPY1RNPY2R

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
EP-3257863-A1 FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS Université de Strasbourg (FR) 2017-12-20 EP disclosed