SCHEMBL15764765

SCHEMBL15764765

NCCCC[C@H](NC(=S)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.77
NAALAD2 Q9Y3Q0 2/20 0.53
RIMKLA Q8IXN7 1/20 0.53
GAA P10253 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GNPAT O15228 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL15739372 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL15739351 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL1741931 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2450656 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2450650 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL4669761 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL15739333 0.87 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2375284 0.86 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGAACA1
SCHEMBL12291002 0.86 FOLH1 (0.69) FOLH1NAALAD2RIMKLAGAACA1
SCHEMBL19352015 0.85 FOLH1 (0.97) FOLH1NAALAD2RIMKLASLC6A5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014085575-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES ENDOCYTE, INC. (US) 2014-06-05 WO disclosed
US-20140154702-A1 Methods For Treating Cancer Using Combination Therapies ENDOCYTE INC (US) 2014-06-05 US disclosed