SCHEMBL2818458

SCHEMBL2818458

N#Cc1ccc2c(c1)C(O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
LRRK2 Q5S007 2/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46

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
SCHEMBL9456100 0.90 DRD2 (0.46) PGRCYP11B1CYP11B2LRRK2AURKA
SCHEMBL4517438 0.87 PGR (0.58) PGRCYP11B1CYP11B2LRRK2AURKA
SCHEMBL4142468 0.87 PGR (0.58) PGRCYP11B1CYP11B2LRRK2AURKA
SCHEMBL29741012 0.87 PGR (0.58) PGRCYP11B1CYP11B2LRRK2AURKA
SCHEMBL24593614 0.81 DRD2 (0.45) PGRCYP11B2LRRK2IDO1LMNA
SCHEMBL15577017 0.81 DRD2 (0.45) PGRCYP11B2LRRK2IDO1LMNA
SCHEMBL6141623 0.80 CYP11B1 (0.49) CYP11B1CYP11B2LRRK2AURKADAPK3
SCHEMBL22070889 0.78 DRD2 (0.41) LRRK2AURKADAPK3PRKD3MAP4K4
SCHEMBL10192249 0.76 LRRK2 (0.44) CYP11B2LRRK2IDO1LMNACYP3A4
SCHEMBL1029126 0.76 PGR (0.56) PGRCYP11B1CYP11B2LRRK2AURKA

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902150-A Surface and coating compositions having antifouling, antithrombotic and antibacterial properties and methods of making 乔治亚大学研究基金公司 2020-11-06 CN claimed
CN-105353068-A GC-MS/MS assay determination method for volatile N-nitrosamine in tobacco and smokeless tobacco products ZHENGZHOU TOBACCO RES CNTC 2016-02-24 CN claimed
EP-1956977-A4 FLEXIBLE APPARATUS AND METHOD FOR MONITORING AND DELIVERY FLEXIBLE MEDICAL SYSTEMS LLC (US) 2009-06-10 EP claimed
JP-2009518113-A 2009-05-07 JP claimed
EP-1956977-A2 FLEXIBLE APPARATUS AND METHOD FOR MONITORING AND DELIVERY Flexible Medical Systems, LLC (US) 2008-08-20 EP claimed
WO-2007070093-A2 FLEXIBLE APPARATUS AND METHOD FOR MONITORING AND DELIVERY FLEXIBLE MEDICAL SYSTEMS, LLC. (US) 2007-06-21 WO claimed
US-12024609-B2 Benzoxazine based polyurethane resin composition HUNTSMAN INTERNATIONAL LLC (US) 2024-07-02 US disclosed
CN-117031883-A Method for identifying relief precursor for manufacturing relief structure 恩熙思德国有限公司 2023-11-10 CN disclosed
US-20230257558-A1 VULCANISABLE COMPOSITION FOR FORMING A NITROSAMINE FREE SULPHUR MODIFIED POLYCHLOROPRENE VULCANISATE ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-17 US disclosed
CN-111448518-B Method for identifying relief precursor for manufacturing relief structure 恩熙思德国有限公司 2023-08-01 CN disclosed
WO-2023111290-A1 POLYSARCOSINE-VITAMIN E DERIVATIVES POLYPEPTIDE THERAPEUTIC SOLUTIONS, S.L. (ES) 2023-06-22 WO disclosed
EP-4157934-A1 VULCANISABLE COMPOSITION FOR FORMING A NITROSAMINE FREE SULPHUR MODIFIED POLYCHLOROPRENE VULCANISATE ARLANXEO Deutschland GmbH (DE) 2023-04-05 EP disclosed
CN-115667387-A Curable compositions for forming nitrosamine-free sulfur-modified polychloroprene cured products 阿朗新科德国有限责任公司 2023-01-31 CN disclosed
US-5104986-A Polymeric flame retarders MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGIA (IT) 1992-04-14 US disclosed
CN-1014246-B PREPN. OF CARBAPEMEM COMPOUNDS SANKYO CO (JP) 1991-10-09 CN disclosed
EP-0448774-A2 Triazinic compounds MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-02 EP disclosed
EP-0406810-A1 Self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-01-09 EP disclosed
CN-85109699-A The preparation and the purposes of carbapemem (carbapenem) 1986-08-13 CN disclosed
US-4315015-A LIQUID SMOKE, REDUCING SUGAR ARMOUR AND COMPANY (US) 1982-02-09 US disclosed
US-4256462-A REACTING N-NITROSAMINES WITH DENITROSATING AGENT TO YEILD NITRIC OXIDE FOR ANALYSIS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1981-03-17 US disclosed