SCHEMBL7071333

SCHEMBL7071333

NC(=O)CCC(NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(N)CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
PTGS1 P23219 2/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
FNTA P49354 7/20 0.43
FNTB P49356 7/20 0.43
PGGT1B P53609 3/20 0.43
ACE P12821 1/20 0.42
NOD1 Q9Y239 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CA2 P00918 2/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
CA1 P00915 1/20 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
SCHEMBL7071336 1.00 FOLH1 (0.47) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL4227222 0.95 KMT2A (0.48) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL4227234 0.95 KMT2A (0.48) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL30010559 0.94 FOLH1 (0.47) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL30011195 0.94 FOLH1 (0.47) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL6809858 0.94 KMT2A (0.49) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL30010917 0.94 FOLH1 (0.47) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL6809847 0.94 KMT2A (0.49) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL30010906 0.94 FOLH1 (0.47) FOLH1PTGS1GSTK1KMT2AALOX15
SCHEMBL6806102 0.93 KMT2A (0.47) FOLH1PTGS1GSTK1KMT2AALOX15

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-2003055448-A2 ANTIFUNGAL COMPOSITIONS ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-10 WO disclosed