SCHEMBL6947709

SCHEMBL6947709

O=C(O)c1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PTPN1 P18031 3/20 0.55
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 1/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
JAK1 P23458 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1246801 1.00 CES2 (0.61) CES2CES1MEN1KMT2AKDM4E
SCHEMBL29664937 1.00 CES2 (0.61) CES2CES1MEN1KMT2AKDM4E
SCHEMBL27658812 1.00 CES2 (0.61) CES2CES1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11138411 0.98 CES2 (0.59) CES2CES1MEN1KMT2AKDM4E
SCHEMBL27780127 0.98 CES2 (0.59) CES2CES1MEN1KMT2AKDM4E
Beta-Naphtoic Acid SCHEMBL98296 0.93 CES2 (0.71) CES2CES1MEN1KMT2AKDM4E
Naphthalene SCHEMBL8648318 0.93 CES2 (0.64) CES2CES1MEN1KMT2AKDM4E
Beta-Naphtoic Acid SCHEMBL30678321 0.93 CES2 (0.71) CES2CES1MEN1KMT2AKDM4E
Beta-Naphtoic Acid SCHEMBL29628843 0.93 CES2 (0.71) CES2CES1MEN1KMT2AKDM4E
Beta-Naphtoic Acid SCHEMBL30678322 0.93 CES2 (0.71) CES2CES1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117623991-A Polysubstituted aryl cyclopropylamine urea compound, preparation method and application thereof 上海爱博医药科技有限公司 2024-03-01 CN claimed
EP-3811427-B1 A PHOTON MULTIPLYING FILM CAMBRIDGE ENTPR LTD (GB) 2025-11-05 EP disclosed
CN-117623991-A Polysubstituted aryl cyclopropylamine urea compound, preparation method and application thereof 上海爱博医药科技有限公司 2024-03-01 CN disclosed
EP-3383405-A1 ANTIBIOTIC FIIRV 104/18 COMPLEX AND THE ISOLATED INDIVIDUAL FACTORS THEREOF Fondazione Istituto Insubrico di Ricerca per la Vita (IT) 2018-10-10 EP disclosed
WO-2017093114-A1 ANTIBIOTIC FIIRV 104/18 COMPLEX AND THE ISOLATED INDIVIDUAL FACTORS THEREOF FONDAZIONE ISTITUTO INSUBRICO DI RICERCA PER LA VITA (IT) 2017-06-08 WO disclosed
CN-103370070-A Novel antibacterial compounds, preparation method and application thereof ALBANY MOLECULAR RES INC 2013-10-23 CN disclosed
CN-1741821-B Compositions for cancer treatment ENGENE INC 2011-08-10 CN disclosed
CN-1741821-A Compositions for cancer treatment ENGENE INC (CA) 2006-03-01 CN disclosed
EP-1305798-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION Riso National Laboratory (DK) 2003-05-02 EP disclosed
US-20020025401-A1 Optical storage using materials comprising chromophore oligomers which can undergo cycloaddition OPTILINK AB (SE) 2002-02-28 US disclosed
WO-2001097217-A2 OPTICAL STORAGE USING MATERIALS COMPRISING CHROMOPHORE OLIGOMERS WHICH CAN UNDERGO CYCLOADDITION OPTILINK AB (SE) 2001-12-20 WO disclosed
WO-1998031659-A1 IMINE DERIVATES OF MADURAHYDROYLACTON, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS JENAPHARM GMBH & CO. KG (DE) 1998-07-23 WO disclosed
US-5736376-A Recombinant endothelin converting enzyme-2 and its use in ECE inhibitor screening BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-04-07 US disclosed
US-5688640-A GENETIC ENGINEERING AND MEASUREMENT OF CONCENTRATION OF ENDOTHELIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-11-18 US disclosed