SCHEMBL4998034

SCHEMBL4998034

Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(CC(C)C)NC(=O)c1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
PGR P06401 1/20 0.52
ABCB1 P08183 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SCN5A Q14524 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
CCR1 P32246 4/20 0.43
KMT2A Q03164 2/20 0.42
PSMB5 P28074 3/20 0.41
CTSD P07339 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL4322422 0.91 ABCC3 (0.53) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5839582 0.91 ABCC3 (0.53) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5844769 0.84 BACE1 (0.52) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL15095212 0.83 ABCC3 (0.54) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5838534 0.82 ABCC3 (0.55) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5839261 0.82 ABCC3 (0.54) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5838875 0.82 ABCC3 (0.54) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL30261823 0.81 ABCC3 (0.65) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL5839184 0.81 ABCC3 (0.53) ABCC3ABCC4ABCB11PGRABCB1
SCHEMBL4961238 0.81 ADORA3 (0.64) ABCC3ABCC4ABCB11PGRABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20150168419-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2015-06-18 US disclosed
US-20130295679-A1 PREDICTION OF A SMALL-FOR-GESTATIONAL AGE (SGA) INFANT UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2013-11-07 US 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