SCHEMBL4615179

SCHEMBL4615179

CC1=[N+](C)c2ccc([N+](=O)[O-])cc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 4/20 0.47
TDP1 Q9NUW8 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 5/20 0.43
MCL1 Q07820 2/20 0.43
APAF1 O14727 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CYP3A4 P08684 4/20 0.42
ACHE P22303 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APEX1 P27695 2/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Hydrochloric Acid SCHEMBL4614659 0.98 ESPL1 (0.49) ESPL1TDP1TSHRALDH1A1MAPT
Bromide SCHEMBL4614053 0.98 ESPL1 (0.46) ESPL1TDP1TSHRALDH1A1MAPT
Sulfuric Acid SCHEMBL4614640 0.95 ESPL1 (0.43) ESPL1TDP1TSHRALDH1A1MAPT
SCHEMBL4615093 0.94 ESPL1 (0.43) ESPL1TDP1TSHRALDH1A1MAPT
Sulfuric Acid SCHEMBL4614646 0.93 MAPT (0.42) ESPL1TDP1TSHRALDH1A1MAPT
SCHEMBL7740556 0.88 ACHE (0.41) ESPL1TDP1TSHRALDH1A1MAPT
Iodide SCHEMBL29419509 0.86 TSHR (0.43) ESPL1TDP1TSHRALDH1A1MAPT
Iodide SCHEMBL28708116 0.86 TSHR (0.43) ESPL1TDP1TSHRALDH1A1MAPT
SCHEMBL10623250 0.80 ESPL1 (0.40) ESPL1TDP1TSHRALDH1A1MAPT
SCHEMBL10082444 0.80 MAPT (0.61) ESPL1TDP1TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
WO-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
US-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed
EP-4224253-B1 PROCESS, APPARATUS AND PHOTOSWITCHABLE PHOTOINITIATORS FOR LOCALLY POLYMERIZING A STARTING MATERIAL BY DUAL COLOR PHOTOPOLYMERIZATION AND METHOD FOR VOLUMETRIC PRINTING OF A SHAPED BODY XOLO GMBH (DE) 2023-11-15 EP disclosed
US-9625469-B2 Identifying peptides at the single molecule level BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-20080062838-A1 MATERIALS FOR OPTICAL MEDIUM COPY-PROTECTION TRANSIENTLY REACTING TO A READER BEAM VERIFICATION TECHNOLOGIES, INC. (US) 2008-03-13 US disclosed