SCHEMBL16731658

SCHEMBL16731658

N=C(NCCCCCCCC(N)=O)NCCCC[C@H](NC(=O)N[C@@H](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
SCHEMBL20698817 0.88 FOLH1 (0.65) FOLH1RIMKLANAALAD2
SCHEMBL21321539 0.87 FOLH1 (0.67) FOLH1RIMKLANAALAD2
SCHEMBL16731711 0.87 FOLH1 (0.70) FOLH1RIMKLANAALAD2
SCHEMBL21892996 0.86 FOLH1 (0.76) FOLH1RIMKLANAALAD2
SCHEMBL16122936 0.85 FOLH1 (0.60) FOLH1RIMKLANAALAD2
SCHEMBL16731694 0.85 FOLH1 (0.61) FOLH1RIMKLANAALAD2
SCHEMBL20879610 0.80 FOLH1 (0.74) FOLH1RIMKLANAALAD2
SCHEMBL22130972 0.80 FOLH1 (0.74) FOLH1RIMKLANAALAD2
SCHEMBL19389448 0.80 FOLH1 (0.74) FOLH1RIMKLANAALAD2
SCHEMBL18647212 0.79 FOLH1 (0.81) FOLH1RIMKLANAALAD2

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-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 — — WO disclosed
Send feedback