SCHEMBL4992286

SCHEMBL4992286

COC(Cc1ccccc1)C(C)CC(C)CCC(N)C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ANPEP P15144 4/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 2/20 0.39
CYP2D6 P10635 1/20 0.38
LAP3 P28838 4/20 0.38
SRR Q9GZT4 2/20 0.38
PPM1B O75688 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL29682652 0.86 CYP2D6 (0.42) ACEANPEPRNPEPDNPEPCYP2D6
SCHEMBL27858195 0.77 CYP1A2 (0.50) ACEALPIPKMPTGS1XIAP
SCHEMBL27488010 0.74 ALPI (0.53) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL8561050 0.73 ALPI (0.60) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL27489074 0.72 GRIK1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27473007 0.71 TSHR (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20576648 0.70 PPM1B (0.41) ACESLC1A3SLC1A2SLC1A1ALPI
SCHEMBL19690657 0.69 CYP2D6 (0.46) ACECYP2D6
SCHEMBL1695172 0.68 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ALPIPKM
Trifluoroacetic Acid SCHEMBL6894534 0.67 ALPI (0.51) SLC1A3SLC1A2SLC1A1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed