SCHEMBL9953928

SCHEMBL9953928

Cc1ncc(CC(C)C)nc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 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
SCHEMBL31374320 1.00 NOS3 (0.41) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL28578767 0.83 NOS3 (0.39) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL30665023 0.82 CYP1A2 (0.32) PDE10ACYP1A2CYP2C9HIF1A
SCHEMBL22296094 0.80 NOS3 (0.37) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL309324 0.79 NOS3 (0.44) NOS3NOS1NOS2ESR1PDE10A
SCHEMBL31120892 0.79 NOS3 (0.44) NOS3NOS1NOS2ESR1PDE10A
SCHEMBL11213705 0.79 NOS3 (0.36) NOS3NOS1NOS2PDE10ACYP1A2
SCHEMBL16432838 0.79 NOS3 (0.36) NOS3NOS1NOS2PDE10ACYP1A2
SCHEMBL27877266 0.79 NOS3 (0.36) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL29070262 0.77 CYP1A2 (0.35) NOS3NOS1NOS2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107439558-A Method for evaluating repellency quality of organic material, and method and composition for repelling arthropods 加利福尼亚大学董事会 2017-12-08 CN claimed
EP-2654432-B1 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH ROOMBIOTIC GMBH (AT) 2017-02-08 EP claimed
CN-103987258-A Method for evaluating repellency quality of organic material, and method and composition for repelling arthropods UNIV CALIFORNIA 2014-08-13 CN claimed
EP-2654432-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH Research Center Pharmaceutical Engineering GmbH (AT) 2013-10-30 EP claimed
WO-2012085255-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH RESEARCH CENTER PHARMACEUTICAL ENGINEERING GMBH (AT) 2012-06-28 WO claimed
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-9910044-B2 Methods for identifying arthropod repellents based on modulation of specific ionotropic receptors, and compounds and compositions identified by such methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-06 US disclosed
CN-107439558-A Method for evaluating repellency quality of organic material, and method and composition for repelling arthropods 加利福尼亚大学董事会 2017-12-08 CN disclosed
EP-2654432-B1 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH ROOMBIOTIC GMBH (AT) 2017-02-08 EP disclosed
EP-2971060-A1 METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS BASED ON MODULATION OF IONOTROPIC RECEPTORS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED THEREBY The Regents of The University of California (US) 2016-01-20 EP disclosed
US-20150377897-A1 METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS BASED ON MODULATION OF SPECIFIC IONOTROPIC RECEPTORS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED BY SUCH METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-31 US disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
CN-104685416-A Photosensitive resin composition, method for forming cured film using same, cured film, liquid crystal display device, and organic el display device FUJIFILM CORP 2015-06-03 CN disclosed
CN-104159977-A Thermoplastic resin composition NIPPON NYUKAZAI CO LTD 2014-11-19 CN disclosed
WO-2014153190-A1 METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS BASED ON MODULATION OF IONOTROPIC RECEPTORS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED THEREBY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-25 WO disclosed
CN-103987258-A Method for evaluating repellency quality of organic material, and method and composition for repelling arthropods UNIV CALIFORNIA 2014-08-13 CN disclosed
EP-2654432-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH Research Center Pharmaceutical Engineering GmbH (AT) 2013-10-30 EP disclosed
WO-2012085255-A2 VOLATILE ORGANIC COMPOUNDS FROM BACTERIAL ANTAGONISTS FOR CONTROLLING MICROBIAL GROWTH RESEARCH CENTER PHARMACEUTICAL ENGINEERING GMBH (AT) 2012-06-28 WO disclosed