SCHEMBL5492948

SCHEMBL5492948

NC1(C2(C(=O)O)CCCCCCCN2)CCCCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2004047 0.71 ARG1 (0.33) ARG1CYP2C19
SCHEMBL3934353 0.66 ARG1 (0.34) ARG1CYP2C19
SCHEMBL59598 0.66 CYP2C19 (0.38) CYP2C19
SCHEMBL27486977 0.65 NSD2 (0.35) ARG1CYP2C19
SCHEMBL16585834 0.64
SCHEMBL562022 0.64 ARG1 (0.33) ARG1CYP2C19
SCHEMBL3103050 0.64
SCHEMBL3407152 0.64
Acetic Acid SCHEMBL15643318 0.64
SCHEMBL8808873 0.63

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-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US disclosed