SCHEMBL18516883

SCHEMBL18516883

C#CCCC(=O)NCCCC[C@H](NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 19/20 0.64
RIMKLA Q8IXN7 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54

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
SCHEMBL18516882 1.00 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL18496714 1.00 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL18516759 0.90 FOLH1 (0.51) FOLH1RIMKLANAALAD2
SCHEMBL18516758 0.90 FOLH1 (0.51) FOLH1RIMKLANAALAD2
SCHEMBL18496713 0.88 FOLH1 (0.54) FOLH1RIMKLANAALAD2
SCHEMBL21176379 0.88 FOLH1 (0.54) FOLH1RIMKLANAALAD2
SCHEMBL30003719 0.88 NOD1 (0.48) FOLH1
SCHEMBL18655461 0.86 FOLH1 (0.74) FOLH1RIMKLANAALAD2
SCHEMBL16518793 0.84 FOLH1 (0.70) FOLH1RIMKLANAALAD2
SCHEMBL21176206 0.83 FOLH1 (0.50) 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-2017027870-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND \"REVERSED\" CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-16 WO disclosed