SCHEMBL18800237

SCHEMBL18800237

C[C@H](CCCCN)NC(=O)N[C@H](CCCC(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.73
▸ NAALAD2 Q9Y3Q0 2/20 0.51
▸ RIMKLA Q8IXN7 1/20 0.51
▸ CPB2 Q96IY4 8/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.45

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
SCHEMBL21342528 0.93 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2
SCHEMBL13019243 0.93 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2
SCHEMBL11986386 0.93 FOLH1 (0.80) FOLH1NAALAD2RIMKLACPB2SLC6A5
SCHEMBL23839908 0.91 FOLH1 (0.87) FOLH1NAALAD2RIMKLACPB2SLC6A5
SCHEMBL4669761 0.85 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL15739333 0.85 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2450656 0.85 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL19265779 0.85 FOLH1 (0.61) FOLH1NAALAD2RIMKLACPB2
SCHEMBL15739351 0.85 FOLH1 (1.00) FOLH1NAALAD2RIMKLA
SCHEMBL2450650 0.85 FOLH1 (1.00) FOLH1NAALAD2RIMKLA

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
US-9636413-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-05-02 — — US disclosed
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